(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide

C14H16F3NO3 — CID 94824757

IUPAC(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-9(18-13(19)11-6-7-20-8-11)10-2-4-12(5-3-10)21-14(15,16)17/h2-5,9,11H,6-8H2,1H3,(H,18,19)/t9-,11-/m0/s1
InChIKeyPWMNTSPRSLXMNW-ONGXEEELSA-N
MW303.28 g/mol
LogP2.80
Rot. Bonds4

About (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide

(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 94824757) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
PubChem CID94824757
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-9(18-13(19)11-6-7-20-8-11)10-2-4-12(5-3-10)21-14(15,16)17/h2-5,9,11H,6-8H2,1H3,(H,18,19)/t9-,11-/m0/s1
InChIKeyPWMNTSPRSLXMNW-ONGXEEELSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518
(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
(2S,5R)-5-(aminomethyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-2-carboxamide
CID 120786152
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51729148
1-(oxolan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65330397
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]oxolane-3-carboxamide
CID 123577661
2-cyclopropyl-6-oxo-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139267941
oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893773
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide (CID 94824757) is (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide is C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is PWMNTSPRSLXMNW-ONGXEEELSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(18-13(19)11-6-7-20-8-11)10-2-4-12(5-3-10)21-14(15,16)17/h2-5,9,11H,6-8H2,1H3,(H,18,19)/t9-,11-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide?
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 94824757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).