N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C18H25N5O2 — CID 129343428

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)on1
InChIInChI=1S/C18H25N5O2/c1-12-10-17(25-21-12)20-16(24)11-23-9-5-8-15(23)18-19-13-6-3-4-7-14(13)22(18)2/h10,15H,3-9,11H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyWSSPAHIIXVVDJB-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.37
Rot. Bonds4

About N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 129343428) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID129343428
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)on1
InChIInChI=1S/C18H25N5O2/c1-12-10-17(25-21-12)20-16(24)11-23-9-5-8-15(23)18-19-13-6-3-4-7-14(13)22(18)2/h10,15H,3-9,11H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyWSSPAHIIXVVDJB-OAHLLOKOSA-N
XLogP2.37
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 128965274
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477373
2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 124730258
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915718
N-methyl-3-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128971093
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
2-methyl-5-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129475472
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
3-cyclopentyl-5-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128981085
2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 136586050
2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 129483798

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 129343428) is N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCC[C@@H]2c2nc3c(n2C)CCCC3)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is WSSPAHIIXVVDJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-10-17(25-21-12)20-16(24)11-23-9-5-8-15(23)18-19-13-6-3-4-7-14(13)22(18)2/h10,15H,3-9,11H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 129343428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).