N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide

C15H17N3O2 — CID 79285004

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C15H17N3O2/c1-2-7-16-9-14(19)17-11-5-6-13-12(8-11)18-15(20-13)10-3-4-10/h2,5-6,8,10,16H,1,3-4,7,9H2,(H,17,19)
InChIKeyXDQWSUCOLLOONJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.42
Rot. Bonds6

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285004) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79285004
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C15H17N3O2/c1-2-7-16-9-14(19)17-11-5-6-13-12(8-11)18-15(20-13)10-3-4-10/h2,5-6,8,10,16H,1,3-4,7,9H2,(H,17,19)
InChIKeyXDQWSUCOLLOONJ-UHFFFAOYSA-N
XLogP2.42
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410997
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46424661
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
CID 46424456
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
(4R)-3-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 94783798

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide (CID 79285004) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is XDQWSUCOLLOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-7-16-9-14(19)17-11-5-6-13-12(8-11)18-15(20-13)10-3-4-10/h2,5-6,8,10,16H,1,3-4,7,9H2,(H,17,19).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.42, 6 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-5-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).