2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide

C15H17ClN2O3 — CID 59786416

IUPAC2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)COc1ccc(Cl)cc1Cc1nc(C(N)=O)co1
InChIInChI=1S/C15H17ClN2O3/c1-9(2)7-20-13-4-3-11(16)5-10(13)6-14-18-12(8-21-14)15(17)19/h3-5,8-9H,6-7H2,1-2H3,(H2,17,19)
InChIKeyUDGCXPZGOWCQGD-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.05
Rot. Bonds6

About 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide

2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 59786416) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID59786416
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)COc1ccc(Cl)cc1Cc1nc(C(N)=O)co1
InChIInChI=1S/C15H17ClN2O3/c1-9(2)7-20-13-4-3-11(16)5-10(13)6-14-18-12(8-21-14)15(17)19/h3-5,8-9H,6-7H2,1-2H3,(H2,17,19)
InChIKeyUDGCXPZGOWCQGD-UHFFFAOYSA-N
XLogP3.05
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 59786538
2-[2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazol-4-yl]-3H-benzimidazole-5-carbaldehyde
CID 59786349
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-4-methylfuran-2-carboxylic acid
CID 15604739
N-tert-butyl-5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
CID 15605115
sodium 1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 23696344
ethyl 5-[(5-chloro-2-hydroxyphenyl)methyl]furan-2-carboxylate;ethyl 5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-carboxylate
CID 158064524
tert-butyl-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]carbamic acid
CID 69243804
5-chloro-2-(2-methylpropoxy)phenol
CID 59319916
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 15605048

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 59786416) is 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide is CC(C)COc1ccc(Cl)cc1Cc1nc(C(N)=O)co1.
What is the InChIKey of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is UDGCXPZGOWCQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(2)7-20-13-4-3-11(16)5-10(13)6-14-18-12(8-21-14)15(17)19/h3-5,8-9H,6-7H2,1-2H3,(H2,17,19).
What are the key properties of 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59786416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).