N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide

C20H19N3O4 — CID 77196408

IUPACN-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESCC(NC(=O)c1cccc(-c2cc(-c3ccc(CO)cc3)on2)c1)C(N)=O
InChIInChI=1S/C20H19N3O4/c1-12(19(21)25)22-20(26)16-4-2-3-15(9-16)17-10-18(27-23-17)14-7-5-13(11-24)6-8-14/h2-10,12,24H,11H2,1H3,(H2,21,25)(H,22,26)
InChIKeyWHLOPMJBEMDNCX-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.10
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide

N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide (PubChem CID 77196408) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide
PubChem CID77196408
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESCC(NC(=O)c1cccc(-c2cc(-c3ccc(CO)cc3)on2)c1)C(N)=O
InChIInChI=1S/C20H19N3O4/c1-12(19(21)25)22-20(26)16-4-2-3-15(9-16)17-10-18(27-23-17)14-7-5-13(11-24)6-8-14/h2-10,12,24H,11H2,1H3,(H2,21,25)(H,22,26)
InChIKeyWHLOPMJBEMDNCX-UHFFFAOYSA-N
XLogP2.10
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide (CID 77196408) is N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide is CC(NC(=O)c1cccc(-c2cc(-c3ccc(CO)cc3)on2)c1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The InChIKey is WHLOPMJBEMDNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12(19(21)25)22-20(26)16-4-2-3-15(9-16)17-10-18(27-23-17)14-7-5-13(11-24)6-8-14/h2-10,12,24H,11H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-[5-[4-(hydroxymethyl)phenyl]-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 77196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).