4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine

C14H15ClN2O3 — CID 117475333

IUPAC4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(Cl)cc1OCC1CC1
InChIInChI=1S/C14H15ClN2O3/c1-18-12-4-9(10-6-17-20-14(10)16)11(15)5-13(12)19-7-8-2-3-8/h4-6,8H,2-3,7,16H2,1H3
InChIKeySZCBCGJPXKXMII-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.37
Rot. Bonds5

About 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine

4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117475333) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117475333
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)c(Cl)cc1OCC1CC1
InChIInChI=1S/C14H15ClN2O3/c1-18-12-4-9(10-6-17-20-14(10)16)11(15)5-13(12)19-7-8-2-3-8/h4-6,8H,2-3,7,16H2,1H3
InChIKeySZCBCGJPXKXMII-UHFFFAOYSA-N
XLogP3.37
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 117433886
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 117427905
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
CID 117392715
4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117425195
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
2-chloro-4-methoxy-5-(oxiran-2-ylmethoxy)aniline
CID 89105920

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine (CID 117475333) is 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)c(Cl)cc1OCC1CC1.
What is the InChIKey of 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is SZCBCGJPXKXMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-18-12-4-9(10-6-17-20-14(10)16)11(15)5-13(12)19-7-8-2-3-8/h4-6,8H,2-3,7,16H2,1H3.
What are the key properties of 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine?
4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 294.74 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117475333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).