4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide

C29H37N3O4 — CID 59486680

IUPAC4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(O)C(C)C)CC3)oc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H37N3O4/c1-19(2)32(34)28(33)31-17-15-22(16-18-31)27-30-25(20-9-13-24(35-6)14-10-20)26(36-27)21-7-11-23(12-8-21)29(3,4)5/h7-14,19,22,34H,15-18H2,1-6H3
InChIKeySFPKMNFQUVPBSN-UHFFFAOYSA-N
MW491.63 g/mol
LogP6.71
Rot. Bonds5

About 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide

4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59486680) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID59486680
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC Name4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(O)C(C)C)CC3)oc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C29H37N3O4/c1-19(2)32(34)28(33)31-17-15-22(16-18-31)27-30-25(20-9-13-24(35-6)14-10-20)26(36-27)21-7-11-23(12-8-21)29(3,4)5/h7-14,19,22,34H,15-18H2,1-6H3
InChIKeySFPKMNFQUVPBSN-UHFFFAOYSA-N
XLogP6.71
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide (CID 59486680) is 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide is COc1ccc(-c2nc(C3CCN(C(=O)N(O)C(C)C)CC3)oc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is SFPKMNFQUVPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-19(2)32(34)28(33)31-17-15-22(16-18-31)27-30-25(20-9-13-24(35-6)14-10-20)26(36-27)21-7-11-23(12-8-21)29(3,4)5/h7-14,19,22,34H,15-18H2,1-6H3.
What are the key properties of 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide?
4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 491.63 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59486680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).