3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide

C13H15N3O2 — CID 83627412

IUPAC3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
SMILESNCCC(=O)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C13H15N3O2/c14-6-5-12(17)15-9-3-4-10-11(7-9)18-13(16-10)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2,(H,15,17)
InChIKeyTUEKGAXSKLHNPQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds4

About 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide

3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide (PubChem CID 83627412) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
PubChem CID83627412
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
SMILESNCCC(=O)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C13H15N3O2/c14-6-5-12(17)15-9-3-4-10-11(7-9)18-13(16-10)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2,(H,15,17)
InChIKeyTUEKGAXSKLHNPQ-UHFFFAOYSA-N
XLogP1.99
TPSA81.15 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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
CID 71976114
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342258
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-(hydroxymethyl)cyclopentyl]urea
CID 111926785
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46424661
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71860738
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111859352

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide (CID 83627412) is 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide is NCCC(=O)Nc1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is TUEKGAXSKLHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-6-5-12(17)15-9-3-4-10-11(7-9)18-13(16-10)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2,(H,15,17).
What are the key properties of 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide?
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 83627412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).