2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

C11H11ClN2O — CID 167970186

IUPAC2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2ccccc2Cl)o1
InChIInChI=1S/C11H11ClN2O/c1-8-6-14-11(15-8)7-13-10-5-3-2-4-9(10)12/h2-6,13H,7H2,1H3
InChIKeyCGCNBRNQEHAHQD-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 167970186) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID167970186
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1cnc(CNc2ccccc2Cl)o1
InChIInChI=1S/C11H11ClN2O/c1-8-6-14-11(15-8)7-13-10-5-3-2-4-9(10)12/h2-6,13H,7H2,1H3
InChIKeyCGCNBRNQEHAHQD-UHFFFAOYSA-N
XLogP3.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 99830762
(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol
CID 99621232
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
4-[(5-methyl-1,3-oxazol-2-yl)methylamino]naphthalene-1-carbothioamide
CID 106372530
6-chloro-2,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375469
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
5-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitroaniline
CID 106373677
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine
CID 99837227
1-(2-chlorophenyl)-1-(2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 122145179
4-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-nitroaniline
CID 106373673
2-(2-chlorophenyl)-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]acetamide
CID 110660623
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (CID 167970186) is 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is Cc1cnc(CNc2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is CGCNBRNQEHAHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-6-14-11(15-8)7-13-10-5-3-2-4-9(10)12/h2-6,13H,7H2,1H3.
What are the key properties of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 222.68 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 167970186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).