4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide

C19H17N5O3 — CID 171343292

IUPAC4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide
SMILESO=C(CCCNc1nc2ccccc2nc1-c1nc2ccccc2o1)NO
InChIInChI=1S/C19H17N5O3/c25-16(24-26)10-5-11-20-18-17(21-12-6-1-2-7-13(12)22-18)19-23-14-8-3-4-9-15(14)27-19/h1-4,6-9,26H,5,10-11H2,(H,20,22)(H,24,25)
InChIKeyWSWHWICXPSMQTC-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.14
Rot. Bonds6

About 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide

4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide (PubChem CID 171343292) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide.

Molecular Properties

Compound Name4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide
PubChem CID171343292
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide
SMILESO=C(CCCNc1nc2ccccc2nc1-c1nc2ccccc2o1)NO
InChIInChI=1S/C19H17N5O3/c25-16(24-26)10-5-11-20-18-17(21-12-6-1-2-7-13(12)22-18)19-23-14-8-3-4-9-15(14)27-19/h1-4,6-9,26H,5,10-11H2,(H,20,22)(H,24,25)
InChIKeyWSWHWICXPSMQTC-UHFFFAOYSA-N
XLogP3.14
TPSA113.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,3-benzoxazol-2-yl)phenoxy]-N-hydroxybutanamide
CID 24772014
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
5-[4-(1,3-benzoxazol-2-yl)anilino]-5-oxopentanoic acid
CID 763458
N-[4-(1,3-benzoxazol-2-ylamino)butyl]formamide
CID 87717718
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
CID 106241523
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
CID 110711685
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxypropyl)acetamide
CID 5128603
3-(1,3-benzoxazol-2-ylamino)-N,N-dimethylpropanamide
CID 47281823
N-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-2-chloroacetamide
CID 166429094

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide?
The IUPAC name of 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide (CID 171343292) is 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide.
What is the SMILES notation for 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide?
The canonical SMILES for 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide is O=C(CCCNc1nc2ccccc2nc1-c1nc2ccccc2o1)NO.
What is the InChIKey of 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide?
The InChIKey is WSWHWICXPSMQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-16(24-26)10-5-11-20-18-17(21-12-6-1-2-7-13(12)22-18)19-23-14-8-3-4-9-15(14)27-19/h1-4,6-9,26H,5,10-11H2,(H,20,22)(H,24,25).
What are the key properties of 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide?
4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide has a molecular weight of 363.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,3-benzoxazol-2-yl)quinoxalin-2-yl]amino]-N-hydroxybutanamide is sourced from PubChem (CID 171343292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).