1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide

C18H17N5O4S — CID 7217067

IUPAC1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)no1
InChIInChI=1S/C18H17N5O4S/c1-11-8-14(22-27-11)21-15(24)10-28-18-19-9-13(17(26)23(18)2)16(25)20-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyHQOXSAYYIHEATI-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.06
Rot. Bonds6

About 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide

1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 7217067) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide
PubChem CID7217067
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)no1
InChIInChI=1S/C18H17N5O4S/c1-11-8-14(22-27-11)21-15(24)10-28-18-19-9-13(17(26)23(18)2)16(25)20-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyHQOXSAYYIHEATI-UHFFFAOYSA-N
XLogP2.06
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide (CID 7217067) is 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide is Cc1cc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)no1.
What is the InChIKey of 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is HQOXSAYYIHEATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-11-8-14(22-27-11)21-15(24)10-28-18-19-9-13(17(26)23(18)2)16(25)20-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide?
1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 7217067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).