N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide

C18H19N3O2 — CID 142744266

IUPACN-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-2-3-9-17(22)19-14-10-11-16-15(12-14)21-18(23-16)20-13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyUKGQMIXLYIJMCM-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.70
Rot. Bonds6

About N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide

N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 142744266) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
PubChem CID142744266
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(Nc3ccccc3)nc2c1
InChIInChI=1S/C18H19N3O2/c1-2-3-9-17(22)19-14-10-11-16-15(12-14)21-18(23-16)20-13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyUKGQMIXLYIJMCM-UHFFFAOYSA-N
XLogP4.70
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
N-(2-anilino-1,3-benzoxazol-5-yl)-5-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]pentanamide
CID 71554835
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]pentanamide
CID 23964998
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]pentanamide
CID 21229547
N-(2-phenylbenzotriazol-5-yl)pentanamide
CID 17219676
N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]butanamide
CID 952231
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]pentanamide
CID 23883624
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide (CID 142744266) is N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide is CCCCC(=O)Nc1ccc2oc(Nc3ccccc3)nc2c1.
What is the InChIKey of N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is UKGQMIXLYIJMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-9-17(22)19-14-10-11-16-15(12-14)21-18(23-16)20-13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide?
N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 309.37 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide is sourced from PubChem (CID 142744266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).