tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate

C24H29N5O5 — CID 163263750

IUPACtert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C#N)ccc3C3CC3)o2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H29N5O5/c1-24(2,3)34-23(31)29-12-16(10-17(29)13-32-4)26-20(30)22-28-27-21(33-22)19-9-14(11-25)5-8-18(19)15-6-7-15/h5,8-9,15-17H,6-7,10,12-13H2,1-4H3,(H,26,30)/t16-,17+/m1/s1
InChIKeyFCGDPUFTTDFXTQ-SJORKVTESA-N
MW467.53 g/mol
LogP3.24
Rot. Bonds6

About tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 163263750) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID163263750
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Nametert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C#N)ccc3C3CC3)o2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H29N5O5/c1-24(2,3)34-23(31)29-12-16(10-17(29)13-32-4)26-20(30)22-28-27-21(33-22)19-9-14(11-25)5-8-18(19)15-6-7-15/h5,8-9,15-17H,6-7,10,12-13H2,1-4H3,(H,26,30)/t16-,17+/m1/s1
InChIKeyFCGDPUFTTDFXTQ-SJORKVTESA-N
XLogP3.24
TPSA130.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-cyano-2-cyclopropylphenyl)-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide
CID 168909150
5-(5-cyano-2-cyclopropylphenyl)-N-[(3R,5S)-1-cyano-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909222
tert-butyl (2S,4R)-4-[(5-chlorothiophene-2-carbonyl)amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 42643386
(4R)-4-[[4-(5-cyano-2-cyclopropyloxyphenyl)-1,3-oxazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 175940446
tert-butyl (2R)-2-(triazol-1-ylmethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 175594774
4-[[5-(2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(triazol-1-ylmethyl)pyrrolidine-1-carboxylic acid
CID 175594808
5-(3-cyanophenyl)-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175706626
tert-butyl (2R,4R)-4-[[5-(3-cyano-4-fluorophenyl)-1,3-oxazole-2-carbonyl]amino]-2-methylpyrrolidine-1-carboxylate
CID 155711951
tert-butyl (2R,4S)-4-bromo-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 155904962
tert-butyl 3-[[3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-ylpyrazole-5-carbonyl]amino]azetidine-1-carboxylate
CID 59504854
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
2-O-tert-butyl 3-O-methyl (3S)-7-cyano-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate
CID 46872566

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 163263750) is tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate is COC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C#N)ccc3C3CC3)o2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is FCGDPUFTTDFXTQ-SJORKVTESA-N. The full InChI is InChI=1S/C24H29N5O5/c1-24(2,3)34-23(31)29-12-16(10-17(29)13-32-4)26-20(30)22-28-27-21(33-22)19-9-14(11-25)5-8-18(19)15-6-7-15/h5,8-9,15-17H,6-7,10,12-13H2,1-4H3,(H,26,30)/t16-,17+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 467.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[[5-(5-cyano-2-cyclopropylphenyl)-1,3,4-oxadiazole-2-carbonyl]amino]-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 163263750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).