N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide

C13H15N3O2 — CID 83627413

IUPACN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C13H15N3O2/c1-14-7-12(17)15-9-4-5-10-11(6-9)18-13(16-10)8-2-3-8/h4-6,8,14H,2-3,7H2,1H3,(H,15,17)
InChIKeyRJJHZPBSMNRUEO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.86
Rot. Bonds4

About N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide (PubChem CID 83627413) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
PubChem CID83627413
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C13H15N3O2/c1-14-7-12(17)15-9-4-5-10-11(6-9)18-13(16-10)8-2-3-8/h4-6,8,14H,2-3,7H2,1H3,(H,15,17)
InChIKeyRJJHZPBSMNRUEO-UHFFFAOYSA-N
XLogP1.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
CID 71976114
methyl 1-[(2-cyclopropyl-1,3-benzoxazol-6-yl)carbamoyl]cyclopropane-1-carboxylate
CID 99634320
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71860738
2-(methylamino)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)acetamide;hydrochloride
CID 120705137
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
CID 79285004
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926785
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71860884
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342258

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide (CID 83627413) is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide?
The InChIKey is RJJHZPBSMNRUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-14-7-12(17)15-9-4-5-10-11(6-9)18-13(16-10)8-2-3-8/h4-6,8,14H,2-3,7H2,1H3,(H,15,17).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide?
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 83627413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).