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

C15H17ClFN5O2 — CID 145012963

IUPACN-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C15H17ClFN5O2/c1-8-12(19-7-24-8)14(23)21-10-4-2-3-9(5-10)20-13-11(17)6-18-15(16)22-13/h6-7,9-10H,2-5H2,1H3,(H,21,23)(H,18,20,22)
InChIKeyJEEQYGZMZXNCLO-UHFFFAOYSA-N
MW353.79 g/mol
LogP2.72
Rot. Bonds4

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

N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 145012963) has the molecular formula C15H17ClFN5O2 and a molecular weight of 353.79 g/mol. Its IUPAC name is N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID145012963
Molecular FormulaC15H17ClFN5O2
Molecular Weight353.79 g/mol
Exact Mass353.11
IUPAC NameN-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC1CCCC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C15H17ClFN5O2/c1-8-12(19-7-24-8)14(23)21-10-4-2-3-9(5-10)20-13-11(17)6-18-15(16)22-13/h6-7,9-10H,2-5H2,1H3,(H,21,23)(H,18,20,22)
InChIKeyJEEQYGZMZXNCLO-UHFFFAOYSA-N
XLogP2.72
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 145012963) is N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC1CCCC(Nc2nc(Cl)ncc2F)C1.
What is the InChIKey of N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is JEEQYGZMZXNCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5O2/c1-8-12(19-7-24-8)14(23)21-10-4-2-3-9(5-10)20-13-11(17)6-18-15(16)22-13/h6-7,9-10H,2-5H2,1H3,(H,21,23)(H,18,20,22).
What are the key properties of N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 353.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 145012963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).