N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C17H19N3O4 — CID 70753555

IUPACN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3cc(CC(C)C)no3)nc2c1
InChIInChI=1S/C17H19N3O4/c1-10(2)6-11-7-15(24-20-11)17(21)18-9-16-19-13-8-12(22-3)4-5-14(13)23-16/h4-5,7-8,10H,6,9H2,1-3H3,(H,18,21)
InChIKeyPKPZBECWXMNQOC-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.95
Rot. Bonds6

About N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70753555) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70753555
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc2oc(CNC(=O)c3cc(CC(C)C)no3)nc2c1
InChIInChI=1S/C17H19N3O4/c1-10(2)6-11-7-15(24-20-11)17(21)18-9-16-19-13-8-12(22-3)4-5-14(13)23-16/h4-5,7-8,10H,6,9H2,1-3H3,(H,18,21)
InChIKeyPKPZBECWXMNQOC-UHFFFAOYSA-N
XLogP2.95
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91794515
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124843358
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91835467
(2S)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125438312
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxamide
CID 172664819
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445358
(3R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125162951
(2S)-1-ethylsulfanyl-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 125435913
2-methyl-1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82294744
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91841825

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70753555) is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is COc1ccc2oc(CNC(=O)c3cc(CC(C)C)no3)nc2c1.
What is the InChIKey of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is PKPZBECWXMNQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(2)6-11-7-15(24-20-11)17(21)18-9-16-19-13-8-12(22-3)4-5-14(13)23-16/h4-5,7-8,10H,6,9H2,1-3H3,(H,18,21).
What are the key properties of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70753555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).