N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide

C24H35N3O3 — CID 42842173

IUPACN-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)C(C)C
InChIInChI=1S/C24H35N3O3/c1-18(2)23(28)27(15-16-29-4)17-21-22(19-11-7-5-8-12-19)25-30-24(21)26(3)20-13-9-6-10-14-20/h5,7-8,11-12,18,20H,6,9-10,13-17H2,1-4H3
InChIKeyJCDGOBGAIRTGHJ-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.74
Rot. Bonds9

About N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide

N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 42842173) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID42842173
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)C(C)C
InChIInChI=1S/C24H35N3O3/c1-18(2)23(28)27(15-16-29-4)17-21-22(19-11-7-5-8-12-19)25-30-24(21)26(3)20-13-9-6-10-14-20/h5,7-8,11-12,18,20H,6,9-10,13-17H2,1-4H3
InChIKeyJCDGOBGAIRTGHJ-UHFFFAOYSA-N
XLogP4.74
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 42842173) is N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C(=O)C(C)C.
What is the InChIKey of N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is JCDGOBGAIRTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-18(2)23(28)27(15-16-29-4)17-21-22(19-11-7-5-8-12-19)25-30-24(21)26(3)20-13-9-6-10-14-20/h5,7-8,11-12,18,20H,6,9-10,13-17H2,1-4H3.
What are the key properties of N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 413.56 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[cyclohexyl(methyl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 42842173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).