3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H12Cl2N2O3 — CID 2962203

IUPAC3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccco1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-4-3-9(6-12(11)17)13-7-14(22-19-13)15(20)18-8-10-2-1-5-21-10/h1-6,14H,7-8H2,(H,18,20)
InChIKeyOPMOTUDJEOVLBN-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.40
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962203) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962203
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccco1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1
InChIInChI=1S/C15H12Cl2N2O3/c16-11-4-3-9(6-12(11)17)13-7-14(22-19-13)15(20)18-8-10-2-1-5-21-10/h1-6,14H,7-8H2,(H,18,20)
InChIKeyOPMOTUDJEOVLBN-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 5908036
N-{2-[(3,4-dichlorobenzoyl)amino]ethyl}-2-furamide
CID 6490902
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2978784
3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158108
3-(4-fluorophenyl)-N-(2-furylmethyl)-4,5-dihydroisoxazole-5-carboxamide
CID 16193876
4-chloro-N-(furan-2-ylmethyl)benzamide
CID 720138
1-{[3-(3,4-Dichlorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}-4-(2-furoyl)piperazine
CID 2962214
[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3158125
3-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 11958800
3-[3,5-bis(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681866
2-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)cyclopent-1-enecarboxamide
CID 44443891
N~2~-[(4-chlorophenyl)acetyl]-N~1~-(2-furylmethyl)glycinamide
CID 2233090

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962203) is 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccco1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OPMOTUDJEOVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-4-3-9(6-12(11)17)13-7-14(22-19-13)15(20)18-8-10-2-1-5-21-10/h1-6,14H,7-8H2,(H,18,20).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 339.18 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).