2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide

C15H18ClN3O3 — CID 100786873

IUPAC2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C15H18ClN3O3/c16-15-18-12-10-11(2-3-13(12)22-15)14(20)17-4-1-5-19-6-8-21-9-7-19/h2-3,10H,1,4-9H2,(H,17,20)
InChIKeyOPUDMYTXBXYART-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.93
Rot. Bonds5

About 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide

2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 100786873) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
PubChem CID100786873
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2oc(Cl)nc2c1
InChIInChI=1S/C15H18ClN3O3/c16-15-18-12-10-11(2-3-13(12)22-15)14(20)17-4-1-5-19-6-8-21-9-7-19/h2-3,10H,1,4-9H2,(H,17,20)
InChIKeyOPUDMYTXBXYART-UHFFFAOYSA-N
XLogP1.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.93
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

3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide (CID 100786873) is 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2oc(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is OPUDMYTXBXYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-15-18-12-10-11(2-3-13(12)22-15)14(20)17-4-1-5-19-6-8-21-9-7-19/h2-3,10H,1,4-9H2,(H,17,20).
What are the key properties of 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide?
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 100786873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).