5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C18H24N4O2 — CID 155876703

IUPAC5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cccc(CNC2CCc3onc(C(=O)NC(C)C)c3C2)n1
InChIInChI=1S/C18H24N4O2/c1-11(2)20-18(23)17-15-9-13(7-8-16(15)24-22-17)19-10-14-6-4-5-12(3)21-14/h4-6,11,13,19H,7-10H2,1-3H3,(H,20,23)
InChIKeyRFIVYSSFEYKNQU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.16
Rot. Bonds5

About 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 155876703) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID155876703
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cccc(CNC2CCc3onc(C(=O)NC(C)C)c3C2)n1
InChIInChI=1S/C18H24N4O2/c1-11(2)20-18(23)17-15-9-13(7-8-16(15)24-22-17)19-10-14-6-4-5-12(3)21-14/h4-6,11,13,19H,7-10H2,1-3H3,(H,20,23)
InChIKeyRFIVYSSFEYKNQU-UHFFFAOYSA-N
XLogP2.16
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155872314
5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871324
N-(cyclopropylmethyl)-5-[(2-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155875836
5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871304
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871127
4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 63887494
[5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]methanol
CID 155871563
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 155506980
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 79267253
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 99627658
(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 28886755

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 155876703) is 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1cccc(CNC2CCc3onc(C(=O)NC(C)C)c3C2)n1.
What is the InChIKey of 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is RFIVYSSFEYKNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)20-18(23)17-15-9-13(7-8-16(15)24-22-17)19-10-14-6-4-5-12(3)21-14/h4-6,11,13,19H,7-10H2,1-3H3,(H,20,23).
What are the key properties of 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155876703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).