N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

C21H27N3O4 — CID 135115347

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C21H27N3O4/c25-15-21(9-5-2-6-10-21)22-20(26)17-18(16-7-3-1-4-8-16)28-23-19(17)24-11-13-27-14-12-24/h1,3-4,7-8,25H,2,5-6,9-15H2,(H,22,26)
InChIKeyHDTUYXHNPQAGOV-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135115347) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135115347
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C21H27N3O4/c25-15-21(9-5-2-6-10-21)22-20(26)17-18(16-7-3-1-4-8-16)28-23-19(17)24-11-13-27-14-12-24/h1,3-4,7-8,25H,2,5-6,9-15H2,(H,22,26)
InChIKeyHDTUYXHNPQAGOV-UHFFFAOYSA-N
XLogP2.60
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide (CID 135115347) is N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide is O=C(NC1(CO)CCCCC1)c1c(N2CCOCC2)noc1-c1ccccc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is HDTUYXHNPQAGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-15-21(9-5-2-6-10-21)22-20(26)17-18(16-7-3-1-4-8-16)28-23-19(17)24-11-13-27-14-12-24/h1,3-4,7-8,25H,2,5-6,9-15H2,(H,22,26).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135115347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).