5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide

C16H21N3O2 — CID 104683893

IUPAC5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H21N3O2/c1-10(3-2-8-17)15(20)18-12-6-7-14-13(9-12)19-16(21-14)11-4-5-11/h6-7,9-11H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyBDXDNRASLDOACM-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.02
Rot. Bonds6

About 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide

5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide (PubChem CID 104683893) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
PubChem CID104683893
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
SMILESCC(CCCN)C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C16H21N3O2/c1-10(3-2-8-17)15(20)18-12-6-7-14-13(9-12)19-16(21-14)11-4-5-11/h6-7,9-11H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyBDXDNRASLDOACM-UHFFFAOYSA-N
XLogP3.02
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
CID 120924638
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
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
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide (CID 104683893) is 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide is CC(CCCN)C(=O)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide?
The InChIKey is BDXDNRASLDOACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(3-2-8-17)15(20)18-12-6-7-14-13(9-12)19-16(21-14)11-4-5-11/h6-7,9-11H,2-5,8,17H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide?
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide has a molecular weight of 287.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide is sourced from PubChem (CID 104683893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).