2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide

C19H19N5O4 — CID 155083808

IUPAC2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
SMILESCC(O)CONC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C
InChIInChI=1S/C19H19N5O4/c1-11(25)10-27-23-17(26)12-7-8-15-14(9-12)20-18(24(15)2)22-19-21-13-5-3-4-6-16(13)28-19/h3-9,11,25H,10H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyUVERSGSBVSYDTQ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.50
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide

2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide (PubChem CID 155083808) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
PubChem CID155083808
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide
SMILESCC(O)CONC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C
InChIInChI=1S/C19H19N5O4/c1-11(25)10-27-23-17(26)12-7-8-15-14(9-12)20-18(24(15)2)22-19-21-13-5-3-4-6-16(13)28-19/h3-9,11,25H,10H2,1-2H3,(H,23,26)(H,20,21,22)
InChIKeyUVERSGSBVSYDTQ-UHFFFAOYSA-N
XLogP2.50
TPSA114.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide (CID 155083808) is 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide is CC(O)CONC(=O)c1ccc2c(c1)nc(Nc1nc3ccccc3o1)n2C.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is UVERSGSBVSYDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-11(25)10-27-23-17(26)12-7-8-15-14(9-12)20-18(24(15)2)22-19-21-13-5-3-4-6-16(13)28-19/h3-9,11,25H,10H2,1-2H3,(H,23,26)(H,20,21,22).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide?
2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-N-(2-hydroxypropoxy)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 155083808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).