N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide

C20H18N2O3 — CID 140643656

IUPACN-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccc(C3C(C(=O)NO)C3c3ccccc3)cc2)o1
InChIInChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23)
InChIKeyKYGGGXHFZXXPPY-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.65
Rot. Bonds4

About N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide

N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (PubChem CID 140643656) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
PubChem CID140643656
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccc(C3C(C(=O)NO)C3c3ccccc3)cc2)o1
InChIInChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23)
InChIKeyKYGGGXHFZXXPPY-UHFFFAOYSA-N
XLogP3.65
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide (CID 140643656) is N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is Cc1ncc(-c2ccc(C3C(C(=O)NO)C3c3ccccc3)cc2)o1.
What is the InChIKey of N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
The InChIKey is KYGGGXHFZXXPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-21-11-16(25-12)13-7-9-15(10-8-13)18-17(19(18)20(23)22-24)14-5-3-2-4-6-14/h2-11,17-19,24H,1H3,(H,22,23).
What are the key properties of N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide?
N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 140643656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).