3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine

C13H16ClN3O — CID 134713419

IUPAC3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine
SMILESCC(C)Cc1cc(CNc2ncccc2Cl)on1
InChIInChI=1S/C13H16ClN3O/c1-9(2)6-10-7-11(18-17-10)8-16-13-12(14)4-3-5-15-13/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKeyORAMTTYOEWXRRS-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.53
Rot. Bonds5

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

3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine (PubChem CID 134713419) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine
PubChem CID134713419
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine
SMILESCC(C)Cc1cc(CNc2ncccc2Cl)on1
InChIInChI=1S/C13H16ClN3O/c1-9(2)6-10-7-11(18-17-10)8-16-13-12(14)4-3-5-15-13/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKeyORAMTTYOEWXRRS-UHFFFAOYSA-N
XLogP3.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138383237
4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 50959013
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
3-chloro-N-[(6-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 122270483
N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 72930406
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903401
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
N'-(3-chloro-2-pyridinyl)-2-methylpropane-1,3-diamine
CID 65035349
3-(2-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazole
CID 173191534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine (CID 134713419) is 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine is CC(C)Cc1cc(CNc2ncccc2Cl)on1.
What is the InChIKey of 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine?
The InChIKey is ORAMTTYOEWXRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(2)6-10-7-11(18-17-10)8-16-13-12(14)4-3-5-15-13/h3-5,7,9H,6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine?
3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine has a molecular weight of 265.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 134713419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).