3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H22N2O4 — CID 45176393

IUPAC3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCC(C)NC(=O)C1CC(Cc2cccc(OC)c2)=NO1
InChIInChI=1S/C16H22N2O4/c1-11(10-20-2)17-16(19)15-9-13(18-22-15)7-12-5-4-6-14(8-12)21-3/h4-6,8,11,15H,7,9-10H2,1-3H3,(H,17,19)
InChIKeyVTATWXNVKGYRIP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.53
Rot. Bonds7

About 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 45176393) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID45176393
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCC(C)NC(=O)C1CC(Cc2cccc(OC)c2)=NO1
InChIInChI=1S/C16H22N2O4/c1-11(10-20-2)17-16(19)15-9-13(18-22-15)7-12-5-4-6-14(8-12)21-3/h4-6,8,11,15H,7,9-10H2,1-3H3,(H,17,19)
InChIKeyVTATWXNVKGYRIP-UHFFFAOYSA-N
XLogP1.53
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxybutan-2-yl)-3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 126463184
[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-[(5R)-3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 25327682
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093706
3-(2-hydroxyphenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158148
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
[4-(4-fluorophenyl)sulfanylpiperidin-1-yl]-[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 45179390
[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 118758750
(3S)-1-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9376574
3-[(3-chlorophenyl)methyl]-N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45196354
(5R)-3-[(2-chlorophenyl)methyl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42498615
(5R)-3-benzhydryl-N-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42457545
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 45176393) is 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COCC(C)NC(=O)C1CC(Cc2cccc(OC)c2)=NO1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VTATWXNVKGYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(10-20-2)17-16(19)15-9-13(18-22-15)7-12-5-4-6-14(8-12)21-3/h4-6,8,11,15H,7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45176393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).