N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C15H17ClN2O2 — CID 17253336

IUPACN-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(CC(C)C)on1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)7-11-8-14(18-20-11)15(19)17-13-6-4-5-12(16)10(13)3/h4-6,8-9H,7H2,1-3H3,(H,17,19)
InChIKeyKLGIYYGITWGICL-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.09
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 17253336) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID17253336
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(CC(C)C)on1
InChIInChI=1S/C15H17ClN2O2/c1-9(2)7-11-8-14(18-20-11)15(19)17-13-6-4-5-12(16)10(13)3/h4-6,8-9H,7H2,1-3H3,(H,17,19)
InChIKeyKLGIYYGITWGICL-UHFFFAOYSA-N
XLogP4.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 5308825
N-(3-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225036
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 17253336) is N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(CC(C)C)on1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KLGIYYGITWGICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9(2)7-11-8-14(18-20-11)15(19)17-13-6-4-5-12(16)10(13)3/h4-6,8-9H,7H2,1-3H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).