N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide

C16H14F3N3O2 — CID 87050807

IUPACN-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C1CCOC1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)12-3-1-10(2-4-12)14-20-7-13(8-21-14)22-15(23)11-5-6-24-9-11/h1-4,7-8,11H,5-6,9H2,(H,22,23)
InChIKeyAEMLUAXQSMPGJX-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.14
Rot. Bonds3

About N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide

N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide (PubChem CID 87050807) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide
PubChem CID87050807
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide
SMILESO=C(Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C1CCOC1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)12-3-1-10(2-4-12)14-20-7-13(8-21-14)22-15(23)11-5-6-24-9-11/h1-4,7-8,11H,5-6,9H2,(H,22,23)
InChIKeyAEMLUAXQSMPGJX-UHFFFAOYSA-N
XLogP3.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-[2-(4-methylphenyl)pyrimidin-5-yl]cyclobutanecarboxamide
CID 53014777
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 115911377
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]oxane-4-carboxamide
CID 113020231
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxolane-3-carboxamide
CID 120566585
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
(Z)-2-cyano-3-hydroxy-3-(oxolan-3-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 54710486
N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301376
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide (CID 87050807) is N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide is O=C(Nc1cnc(-c2ccc(C(F)(F)F)cc2)nc1)C1CCOC1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide?
The InChIKey is AEMLUAXQSMPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)12-3-1-10(2-4-12)14-20-7-13(8-21-14)22-15(23)11-5-6-24-9-11/h1-4,7-8,11H,5-6,9H2,(H,22,23).
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide?
N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]oxolane-3-carboxamide is sourced from PubChem (CID 87050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).