5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide

C17H19F3N2O5 — CID 49029259

IUPAC5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NC(C)COCC(F)(F)F)no2)c1
InChIInChI=1S/C17H19F3N2O5/c1-10(8-26-9-17(18,19)20)21-16(23)13-7-15(27-22-13)12-6-11(24-2)4-5-14(12)25-3/h4-7,10H,8-9H2,1-3H3,(H,21,23)
InChIKeySHVZRKIRDHSRPV-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.06
Rot. Bonds8

About 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 49029259) has the molecular formula C17H19F3N2O5 and a molecular weight of 388.34 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID49029259
Molecular FormulaC17H19F3N2O5
Molecular Weight388.34 g/mol
Exact Mass388.12
IUPAC Name5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NC(C)COCC(F)(F)F)no2)c1
InChIInChI=1S/C17H19F3N2O5/c1-10(8-26-9-17(18,19)20)21-16(23)13-7-15(27-22-13)12-6-11(24-2)4-5-14(12)25-3/h4-7,10H,8-9H2,1-3H3,(H,21,23)
InChIKeySHVZRKIRDHSRPV-UHFFFAOYSA-N
XLogP3.06
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93143963
2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 94812199
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48992159
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide (CID 49029259) is 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NC(C)COCC(F)(F)F)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is SHVZRKIRDHSRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O5/c1-10(8-26-9-17(18,19)20)21-16(23)13-7-15(27-22-13)12-6-11(24-2)4-5-14(12)25-3/h4-7,10H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 388.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 49029259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).