N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H18N2O4 — CID 71788624

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O4/c19-15(17-11-16(20)6-8-21-9-7-16)13-10-14(22-18-13)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H,17,19)
InChIKeyKQUCEKJMSZCXOE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 71788624) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID71788624
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C16H18N2O4/c19-15(17-11-16(20)6-8-21-9-7-16)13-10-14(22-18-13)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H,17,19)
InChIKeyKQUCEKJMSZCXOE-UHFFFAOYSA-N
XLogP1.61
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95718758
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 111445679
5-(furan-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 103849044
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 111538994
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[(2-methoxy-2-adamantyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 72719721
5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
CID 24669082
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 71788624) is N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC1(O)CCOCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is KQUCEKJMSZCXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-15(17-11-16(20)6-8-21-9-7-16)13-10-14(22-18-13)12-4-2-1-3-5-12/h1-5,10,20H,6-9,11H2,(H,17,19).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71788624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).