6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide

C21H24N4O5 — CID 10093090

IUPAC6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)NCCCCCC(=O)NO
InChIInChI=1S/C21H24N4O5/c1-29-17-11-10-14(20-23-15-7-4-5-8-18(15)30-20)13-16(17)24-21(27)22-12-6-2-3-9-19(26)25-28/h4-5,7-8,10-11,13,28H,2-3,6,9,12H2,1H3,(H,25,26)(H2,22,24,27)
InChIKeyRQHGHGKQPZXBJW-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.69
Rot. Bonds9

About 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide

6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide (PubChem CID 10093090) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
PubChem CID10093090
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)NCCCCCC(=O)NO
InChIInChI=1S/C21H24N4O5/c1-29-17-11-10-14(20-23-15-7-4-5-8-18(15)30-20)13-16(17)24-21(27)22-12-6-2-3-9-19(26)25-28/h4-5,7-8,10-11,13,28H,2-3,6,9,12H2,1H3,(H,25,26)(H2,22,24,27)
InChIKeyRQHGHGKQPZXBJW-UHFFFAOYSA-N
XLogP3.69
TPSA125.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide?
The IUPAC name of 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide (CID 10093090) is 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)NCCCCCC(=O)NO.
What is the InChIKey of 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide?
The InChIKey is RQHGHGKQPZXBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-29-17-11-10-14(20-23-15-7-4-5-8-18(15)30-20)13-16(17)24-21(27)22-12-6-2-3-9-19(26)25-28/h4-5,7-8,10-11,13,28H,2-3,6,9,12H2,1H3,(H,25,26)(H2,22,24,27).
What are the key properties of 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide?
6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide has a molecular weight of 412.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 10093090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).