tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

C20H24N4O4 — CID 95626345

IUPACtert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1noc([C@H]2CC(c3ccccc3)=NO2)n1)C1CC1
InChIInChI=1S/C20H24N4O4/c1-20(2,3)26-19(25)21-16(13-9-10-13)17-22-18(28-24-17)15-11-14(23-27-15)12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyNMAFZUFXGHJUQN-CVEARBPZSA-N
MW384.44 g/mol
LogP3.91
Rot. Bonds5

About tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 95626345) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID95626345
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nametert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1noc([C@H]2CC(c3ccccc3)=NO2)n1)C1CC1
InChIInChI=1S/C20H24N4O4/c1-20(2,3)26-19(25)21-16(13-9-10-13)17-22-18(28-24-17)15-11-14(23-27-15)12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3,(H,21,25)/t15-,16+/m1/s1
InChIKeyNMAFZUFXGHJUQN-CVEARBPZSA-N
XLogP3.91
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(R)-cyclopropyl-[5-(2-methylprop-1-enyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 95899234
tert-butyl N-[(S)-cyclopropyl-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 95899211
3-(2-methoxyethyl)-5-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazole
CID 96999699
3-(2-methoxyethyl)-5-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 71931990
tert-butyl N-[4-[methyl-(5-phenyl-1,2,4-oxadiazol-3-yl)amino]cyclohexyl]carbamate
CID 133483879
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
CID 20795477
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
1-O-tert-butyl 4-O-methyl 4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1,4-dicarboxylate
CID 23641173
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
tert-butyl N-[cyclobutyl-[3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 154772154
tert-butyl N-[cyclopropyl-(2-fluoro-4-methylphenyl)methyl]carbamate
CID 123190333
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 95626345) is tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1noc([C@H]2CC(c3ccccc3)=NO2)n1)C1CC1.
What is the InChIKey of tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is NMAFZUFXGHJUQN-CVEARBPZSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-20(2,3)26-19(25)21-16(13-9-10-13)17-22-18(28-24-17)15-11-14(23-27-15)12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3,(H,21,25)/t15-,16+/m1/s1.
What are the key properties of tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 384.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(S)-cyclopropyl-[5-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 95626345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).