2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

C18H19F3N4O3 — CID 139268591

IUPAC2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCc1cnc(C2NC(=O)CC(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)N2)o1
InChIInChI=1S/C18H19F3N4O3/c1-9-8-22-17(28-9)15-24-13(7-14(26)25-15)16(27)23-10(2)11-3-5-12(6-4-11)18(19,20)21/h3-6,8,10,13,15,24H,7H2,1-2H3,(H,23,27)(H,25,26)/t10-,13?,15?/m1/s1
InChIKeyYOIDOUHMXAELOJ-ZZJLNTIPSA-N
MW396.37 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268591) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268591
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCc1cnc(C2NC(=O)CC(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)N2)o1
InChIInChI=1S/C18H19F3N4O3/c1-9-8-22-17(28-9)15-24-13(7-14(26)25-15)16(27)23-10(2)11-3-5-12(6-4-11)18(19,20)21/h3-6,8,10,13,15,24H,7H2,1-2H3,(H,23,27)(H,25,26)/t10-,13?,15?/m1/s1
InChIKeyYOIDOUHMXAELOJ-ZZJLNTIPSA-N
XLogP2.36
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268591) is 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is Cc1cnc(C2NC(=O)CC(C(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)N2)o1.
What is the InChIKey of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is YOIDOUHMXAELOJ-ZZJLNTIPSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-9-8-22-17(28-9)15-24-13(7-14(26)25-15)16(27)23-10(2)11-3-5-12(6-4-11)18(19,20)21/h3-6,8,10,13,15,24H,7H2,1-2H3,(H,23,27)(H,25,26)/t10-,13?,15?/m1/s1.
What are the key properties of 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).