N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

C25H31N5O4 — CID 162362481

About N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362481) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 162362481
• Molecular Formula: C25H31N5O4
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.24
• IUPAC Name: N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)nc1)C1CCC(C)CC1
• InChI: InChI=1S/C25H31N5O4/c1-5-20-19(13-33-30-20)24(31)28-23(17-8-6-14(2)7-9-17)25(32)27-18-10-11-21(26-12-18)22-15(3)29-34-16(22)4/h10-14,17,23H,5-9H2,1-4H3,(H,27,32)(H,28,31)/t14?,17?,23-/m0/s1
• InChIKey: SYDJFRGNTATPCE-QPSXVZGUSA-N
• XLogP: 4.47
• TPSA: 123.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362481) is N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc(-c2c(C)noc2C)nc1)C1CCC(C)CC1.

What is the InChIKey of N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The InChIKey is SYDJFRGNTATPCE-QPSXVZGUSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-5-20-19(13-33-30-20)24(31)28-23(17-8-6-14(2)7-9-17)25(32)27-18-10-11-21(26-12-18)22-15(3)29-34-16(22)4/h10-14,17,23H,5-9H2,1-4H3,(H,27,32)(H,28,31)/t14?,17?,23-/m0/s1.

What are the key properties of N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).