5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine

C12H16ClN3O — CID 143288801

IUPAC5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine
SMILESClc1ccc2c(c1)NC(NC1CCNCC1)O2
InChIInChI=1S/C12H16ClN3O/c13-8-1-2-11-10(7-8)16-12(17-11)15-9-3-5-14-6-4-9/h1-2,7,9,12,14-16H,3-6H2
InChIKeyDYQRIYXMQSDKAI-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.77
Rot. Bonds2

About 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine

5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine (PubChem CID 143288801) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine
PubChem CID143288801
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine
SMILESClc1ccc2c(c1)NC(NC1CCNCC1)O2
InChIInChI=1S/C12H16ClN3O/c13-8-1-2-11-10(7-8)16-12(17-11)15-9-3-5-14-6-4-9/h1-2,7,9,12,14-16H,3-6H2
InChIKeyDYQRIYXMQSDKAI-UHFFFAOYSA-N
XLogP1.77
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825530
9-chloro-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 115825529
2-(1,3-benzodioxol-5-yl)-5-chloro-2,3-dihydro-1,3-benzoxazole
CID 2806671
4-(5-chloro-2,3-dihydro-1,3-benzoxazol-2-yl)benzonitrile
CID 2799099
(2S)-5-chloro-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929834
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
(2S)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide
CID 1485704
6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43536893
(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929817
N-(5-chloro-2-methylphenyl)azepan-4-amine
CID 103980298
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine (CID 143288801) is 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine is Clc1ccc2c(c1)NC(NC1CCNCC1)O2.
What is the InChIKey of 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine?
The InChIKey is DYQRIYXMQSDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-8-1-2-11-10(7-8)16-12(17-11)15-9-3-5-14-6-4-9/h1-2,7,9,12,14-16H,3-6H2.
What are the key properties of 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine?
5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine has a molecular weight of 253.73 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-piperidin-4-yl-2,3-dihydro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 143288801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).