2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

C21H30N4O4 — CID 1195831

IUPAC2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(NC(=O)N(Cc2nc(C(=O)NCC(C)C)co2)CC(C)C)c1
InChIInChI=1S/C21H30N4O4/c1-14(2)10-22-20(26)18-13-29-19(24-18)12-25(11-15(3)4)21(27)23-16-7-6-8-17(9-16)28-5/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyJPRWFXJMDCZKIG-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.76
Rot. Bonds9

About 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide

2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 1195831) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID1195831
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(NC(=O)N(Cc2nc(C(=O)NCC(C)C)co2)CC(C)C)c1
InChIInChI=1S/C21H30N4O4/c1-14(2)10-22-20(26)18-13-29-19(24-18)12-25(11-15(3)4)21(27)23-16-7-6-8-17(9-16)28-5/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27)
InChIKeyJPRWFXJMDCZKIG-UHFFFAOYSA-N
XLogP3.76
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxamide
CID 53168460
N-(3-methoxyphenyl)-4-[5-methyl-4-(pyrrolidin-1-ylcarbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168463
N-(3-methoxyphenyl)-4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 53168478
N-(2-Methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837560
N-(2-Ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837562
N-(4-Methoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837563
N-(4-Ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837570
N-(2-Methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837589
N-(2-Ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837591
N-(4-Methoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837592
N-(4-Ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carboxamide
CID 71837603
2-{1-[(2,3-Dihydro-1,4-benzodioxin-6-ylamino)carbonyl]-4-piperidyl}-N~4~,N~4~,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837623

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide (CID 1195831) is 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is COc1cccc(NC(=O)N(Cc2nc(C(=O)NCC(C)C)co2)CC(C)C)c1.
What is the InChIKey of 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JPRWFXJMDCZKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-14(2)10-22-20(26)18-13-29-19(24-18)12-25(11-15(3)4)21(27)23-16-7-6-8-17(9-16)28-5/h6-9,13-15H,10-12H2,1-5H3,(H,22,26)(H,23,27).
What are the key properties of 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide?
2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 1195831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).