6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine

C14H18ClN3O2 — CID 171705164

IUPAC6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2nc(NCCCN3CCOCC3)oc2c1
InChIInChI=1S/C14H18ClN3O2/c15-11-2-3-12-13(10-11)20-14(17-12)16-4-1-5-18-6-8-19-9-7-18/h2-3,10H,1,4-9H2,(H,16,17)
InChIKeyRVUWBMXHBQJNOE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.62
Rot. Bonds5

About 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine

6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine (PubChem CID 171705164) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
PubChem CID171705164
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
SMILESClc1ccc2nc(NCCCN3CCOCC3)oc2c1
InChIInChI=1S/C14H18ClN3O2/c15-11-2-3-12-13(10-11)20-14(17-12)16-4-1-5-18-6-8-19-9-7-18/h2-3,10H,1,4-9H2,(H,16,17)
InChIKeyRVUWBMXHBQJNOE-UHFFFAOYSA-N
XLogP2.62
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol
CID 142742784
N'-(6-chloro-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 83835155
6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
CID 9350477
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
1-(4-chlorophenyl)-3-[4-[[2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]urea
CID 127044457
2-(4-bromophenyl)-6-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 68860928
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3801591
2-[(6-chloro-1,3-benzoxazol-2-yl)amino]acetic acid
CID 83839879
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
CID 71199797
1-(2,4-dichlorophenyl)-3-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzoxazol-2-yl]amino]methyl]phenyl]urea
CID 127044392

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine (CID 171705164) is 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine is Clc1ccc2nc(NCCCN3CCOCC3)oc2c1.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine?
The InChIKey is RVUWBMXHBQJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-11-2-3-12-13(10-11)20-14(17-12)16-4-1-5-18-6-8-19-9-7-18/h2-3,10H,1,4-9H2,(H,16,17).
What are the key properties of 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine?
6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine has a molecular weight of 295.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 171705164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).