2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide

C13H17N3O3 — CID 65225120

IUPAC2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-2-3-8(7-14)12(17)15-9-4-5-11-10(6-9)16-13(18)19-11/h4-6,8H,2-3,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyIMKZTMCAOJZJCM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.43
Rot. Bonds5

About 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide

2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 65225120) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
PubChem CID65225120
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-2-3-8(7-14)12(17)15-9-4-5-11-10(6-9)16-13(18)19-11/h4-6,8H,2-3,7,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyIMKZTMCAOJZJCM-UHFFFAOYSA-N
XLogP1.43
TPSA101.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
(2S)-2-amino-4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide;hydrochloride
CID 119281841
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
5-(1-aminopropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 103388877
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
ethyl N-[4-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65225386
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-thiophen-2-ylacetamide
CID 115286345
5-[(1-amino-3-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115137951
2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 55121279

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide (CID 65225120) is 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide is CCCC(CN)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is IMKZTMCAOJZJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-3-8(7-14)12(17)15-9-4-5-11-10(6-9)16-13(18)19-11/h4-6,8H,2-3,7,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide?
2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 263.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide is sourced from PubChem (CID 65225120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).