3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide

C18H17N5O3 — CID 146042378

IUPAC3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NCc1nc2ncccc2o1
InChIInChI=1S/C18H17N5O3/c24-11-15-21-12-4-1-2-5-13(12)23(15)9-7-16(25)20-10-17-22-18-14(26-17)6-3-8-19-18/h1-6,8,24H,7,9-11H2,(H,20,25)
InChIKeyLUNMRHXDOBCQNM-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.77
Rot. Bonds6

About 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide (PubChem CID 146042378) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide
PubChem CID146042378
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide
SMILESO=C(CCn1c(CO)nc2ccccc21)NCc1nc2ncccc2o1
InChIInChI=1S/C18H17N5O3/c24-11-15-21-12-4-1-2-5-13(12)23(15)9-7-16(25)20-10-17-22-18-14(26-17)6-3-8-19-18/h1-6,8,24H,7,9-11H2,(H,20,25)
InChIKeyLUNMRHXDOBCQNM-UHFFFAOYSA-N
XLogP1.77
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide 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

3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)propanamide
CID 138381714
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 74234579
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 97146068
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 125172081
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 74249134
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]propanamide
CID 125176743
N-(pyridin-2-ylmethyl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 15996984
3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 131925245
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
3-(2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 91951223
3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
CID 154814647

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide (CID 146042378) is 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide is O=C(CCn1c(CO)nc2ccccc21)NCc1nc2ncccc2o1.
What is the InChIKey of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide?
The InChIKey is LUNMRHXDOBCQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-11-15-21-12-4-1-2-5-13(12)23(15)9-7-16(25)20-10-17-22-18-14(26-17)6-3-8-19-18/h1-6,8,24H,7,9-11H2,(H,20,25).
What are the key properties of 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide?
3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide has a molecular weight of 351.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)benzimidazol-1-yl]-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 146042378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).