N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

C16H19ClFN5O2 — CID 118882888

IUPACN-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(Cl)ncc3F)C2)c(C)o1
InChIInChI=1S/C16H19ClFN5O2/c1-8-13(20-9(2)25-8)15(24)22-11-5-3-4-10(6-11)21-14-12(18)7-19-16(17)23-14/h7,10-11H,3-6H2,1-2H3,(H,22,24)(H,19,21,23)/t10-,11+/m1/s1
InChIKeyOXBOPCONNLFFTM-MNOVXSKESA-N
MW367.81 g/mol
LogP3.03
Rot. Bonds4

About N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 118882888) has the molecular formula C16H19ClFN5O2 and a molecular weight of 367.81 g/mol. Its IUPAC name is N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID118882888
Molecular FormulaC16H19ClFN5O2
Molecular Weight367.81 g/mol
Exact Mass367.12
IUPAC NameN-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(Cl)ncc3F)C2)c(C)o1
InChIInChI=1S/C16H19ClFN5O2/c1-8-13(20-9(2)25-8)15(24)22-11-5-3-4-10(6-11)21-14-12(18)7-19-16(17)23-14/h7,10-11H,3-6H2,1-2H3,(H,22,24)(H,19,21,23)/t10-,11+/m1/s1
InChIKeyOXBOPCONNLFFTM-MNOVXSKESA-N
XLogP3.03
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-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 N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 118882888) is N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(Cl)ncc3F)C2)c(C)o1.
What is the InChIKey of N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is OXBOPCONNLFFTM-MNOVXSKESA-N. The full InChI is InChI=1S/C16H19ClFN5O2/c1-8-13(20-9(2)25-8)15(24)22-11-5-3-4-10(6-11)21-14-12(18)7-19-16(17)23-14/h7,10-11H,3-6H2,1-2H3,(H,22,24)(H,19,21,23)/t10-,11+/m1/s1.
What are the key properties of N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118882888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).