N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H22N2O3S — CID 131938183

IUPACN-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)NCc2cc(COc3ccccc3)cs2)C1
InChIInChI=1S/C19H22N2O3S/c1-13(2)17-9-18(24-21-17)19(22)20-10-16-8-14(12-25-16)11-23-15-6-4-3-5-7-15/h3-8,12-13,18H,9-11H2,1-2H3,(H,20,22)
InChIKeyWJYSHXDFLCYTDY-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.74
Rot. Bonds7

About N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 131938183) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID131938183
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NOC(C(=O)NCc2cc(COc3ccccc3)cs2)C1
InChIInChI=1S/C19H22N2O3S/c1-13(2)17-9-18(24-21-17)19(22)20-10-16-8-14(12-25-16)11-23-15-6-4-3-5-7-15/h3-8,12-13,18H,9-11H2,1-2H3,(H,20,22)
InChIKeyWJYSHXDFLCYTDY-UHFFFAOYSA-N
XLogP3.74
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-benzhydryl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26275778
N-[(5-methoxy-1H-indol-2-yl)methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131952288
N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55904380
(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 15939754
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427190
(4-phenoxythiophen-2-yl)methylurea
CID 67835254
3-(3-fluorophenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55644791
3-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3236235
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490881

Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 131938183) is N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NOC(C(=O)NCc2cc(COc3ccccc3)cs2)C1.
What is the InChIKey of N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WJYSHXDFLCYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)17-9-18(24-21-17)19(22)20-10-16-8-14(12-25-16)11-23-15-6-4-3-5-7-15/h3-8,12-13,18H,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenoxymethyl)thiophen-2-yl]methyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131938183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).