[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate

C14H13F3N2O3 — CID 141284402

IUPAC[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate
SMILESCc1nocc1NC(=O)O[C@H](C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c1-8-12(7-21-19-8)18-13(20)22-9(2)10-4-3-5-11(6-10)14(15,16)17/h3-7,9H,1-2H3,(H,18,20)/t9-/m1/s1
InChIKeyQGTNZXIXGFFBEL-SECBINFHSA-N
MW314.26 g/mol
LogP4.31
Rot. Bonds3

About [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate

[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate (PubChem CID 141284402) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate.

Molecular Properties

Compound Name[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate
PubChem CID141284402
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Name[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate
SMILESCc1nocc1NC(=O)O[C@H](C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O3/c1-8-12(7-21-19-8)18-13(20)22-9(2)10-4-3-5-11(6-10)14(15,16)17/h3-7,9H,1-2H3,(H,18,20)/t9-/m1/s1
InChIKeyQGTNZXIXGFFBEL-SECBINFHSA-N
XLogP4.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)phenyl]ethyl N-[5-(4-bromo-2-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 77159707
1-[4-[4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66660513
ethyl 1-[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66660377
ethyl 1-[[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]methyl]cyclopropane-1-carboxylate
CID 67523643
methyl 1-[4-[4-[4-methyl-5-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118060202
1-phenylethyl N-[3-methyl-5-(3-methylphenyl)-1,2-oxazol-4-yl]carbamate
CID 22279648
ethyl 1-[4-[3-methoxy-4-[3-methyl-4-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66660388
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-[4-[4-[1-methyl-5-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71455704
N-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
CID 172966190
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate?
The IUPAC name of [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate (CID 141284402) is [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate.
What is the SMILES notation for [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate?
The canonical SMILES for [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate is Cc1nocc1NC(=O)O[C@H](C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate?
The InChIKey is QGTNZXIXGFFBEL-SECBINFHSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-8-12(7-21-19-8)18-13(20)22-9(2)10-4-3-5-11(6-10)14(15,16)17/h3-7,9H,1-2H3,(H,18,20)/t9-/m1/s1.
What are the key properties of [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate?
[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate has a molecular weight of 314.26 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[3-(trifluoromethyl)phenyl]ethyl] N-(3-methyl-1,2-oxazol-4-yl)carbamate is sourced from PubChem (CID 141284402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).