4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide

C18H17N5O5 — CID 110426928

About 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide

4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 110426928) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide
• PubChem CID: 110426928
• Molecular Formula: C18H17N5O5
• Molecular Weight: 383.36 g/mol
• Exact Mass: 383.12
• IUPAC Name: 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide
• SMILES: COc1ccc(-c2cc(C(=O)NCC(=O)Nc3cc(C)on3)[nH]c(=O)n2)cc1
• InChI: InChI=1S/C18H17N5O5/c1-10-7-15(23-28-10)22-16(24)9-19-17(25)14-8-13(20-18(26)21-14)11-3-5-12(27-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,25)(H,20,21,26)(H,22,23,24)
• InChIKey: SPCJDHWMOAAVRT-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 139.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.36
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide?

The IUPAC name of 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide (CID 110426928) is 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide.

What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide?

The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide is COc1ccc(-c2cc(C(=O)NCC(=O)Nc3cc(C)on3)[nH]c(=O)n2)cc1.

What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide?

The InChIKey is SPCJDHWMOAAVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-10-7-15(23-28-10)22-16(24)9-19-17(25)14-8-13(20-18(26)21-14)11-3-5-12(27-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,25)(H,20,21,26)(H,22,23,24).

What are the key properties of 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide?

4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxyphenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110426928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).