N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C14H12Cl2N2O2 — CID 5307719

IUPACN-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2
InChIInChI=1S/C14H12Cl2N2O2/c15-8-5-6-10(16)11(7-8)17-14(19)13-9-3-1-2-4-12(9)20-18-13/h5-7H,1-4H2,(H,17,19)
InChIKeyJMWGHQMQLFROEF-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.11
Rot. Bonds2

About N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 5307719) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID5307719
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC NameN-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2
InChIInChI=1S/C14H12Cl2N2O2/c15-8-5-6-10(16)11(7-8)17-14(19)13-9-3-1-2-4-12(9)20-18-13/h5-7H,1-4H2,(H,17,19)
InChIKeyJMWGHQMQLFROEF-UHFFFAOYSA-N
XLogP4.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 4048569
N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254493
N-(5-chloro-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 146130539
N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3241508
N-(2,5-dichlorophenyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110864101
N-(2,5-dichlorophenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692026
N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126839469
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254460
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)benzoate
CID 45493533
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942469
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254539
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247242

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 5307719) is N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1noc2c1CCCC2.
What is the InChIKey of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is JMWGHQMQLFROEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-8-5-6-10(16)11(7-8)17-14(19)13-9-3-1-2-4-12(9)20-18-13/h5-7H,1-4H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 5307719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).