N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide

C18H17N3O2 — CID 71976114

IUPACN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C18H17N3O2/c22-17(9-7-13-3-1-2-10-19-13)20-14-6-8-15-16(11-14)23-18(21-15)12-4-5-12/h1-3,6,8,10-12H,4-5,7,9H2,(H,20,22)
InChIKeyXMQJJLOLDIVLEP-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.67
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide

N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide (PubChem CID 71976114) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
PubChem CID71976114
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C18H17N3O2/c22-17(9-7-13-3-1-2-10-19-13)20-14-6-8-15-16(11-14)23-18(21-15)12-4-5-12/h1-3,6,8,10-12H,4-5,7,9H2,(H,20,22)
InChIKeyXMQJJLOLDIVLEP-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-6-yl)-2-(methylamino)acetamide
CID 83627413
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
3-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 81485558
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55624586
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
CID 46424456
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide (CID 71976114) is N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)Nc1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide?
The InChIKey is XMQJJLOLDIVLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17(9-7-13-3-1-2-10-19-13)20-14-6-8-15-16(11-14)23-18(21-15)12-4-5-12/h1-3,6,8,10-12H,4-5,7,9H2,(H,20,22).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide?
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-pyridin-2-ylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 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)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 71976114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).