4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

C19H24N2O4 — CID 118536619

IUPAC4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(CCCc2ccccc2)c1CO
InChIInChI=1S/C19H24N2O4/c22-12-16-17(8-4-7-14-5-2-1-3-6-14)25-21-18(16)19(23)20-11-15-9-10-24-13-15/h1-3,5-6,15,22H,4,7-13H2,(H,20,23)
InChIKeyXUZGWUYRLPWNTA-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.11
Rot. Bonds8

About 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide

4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 118536619) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID118536619
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(CCCc2ccccc2)c1CO
InChIInChI=1S/C19H24N2O4/c22-12-16-17(8-4-7-14-5-2-1-3-6-14)25-21-18(16)19(23)20-11-15-9-10-24-13-15/h1-3,5-6,15,22H,4,7-13H2,(H,20,23)
InChIKeyXUZGWUYRLPWNTA-UHFFFAOYSA-N
XLogP2.11
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 118536619) is 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1noc(CCCc2ccccc2)c1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XUZGWUYRLPWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-12-16-17(8-4-7-14-5-2-1-3-6-14)25-21-18(16)19(23)20-11-15-9-10-24-13-15/h1-3,5-6,15,22H,4,7-13H2,(H,20,23).
What are the key properties of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide?
4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-5-(3-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118536619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).