2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C16H16N2O4 — CID 120977205

IUPAC2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2O4/c19-15(12-6-7-13(12)16(20)21)17-9-11-8-14(18-22-11)10-4-2-1-3-5-10/h1-5,8,12-13H,6-7,9H2,(H,17,19)(H,20,21)
InChIKeyUCQCGTDHKBUQCZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.07
Rot. Bonds5

About 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977205) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977205
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2O4/c19-15(12-6-7-13(12)16(20)21)17-9-11-8-14(18-22-11)10-4-2-1-3-5-10/h1-5,8,12-13H,6-7,9H2,(H,17,19)(H,20,21)
InChIKeyUCQCGTDHKBUQCZ-UHFFFAOYSA-N
XLogP2.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopent-2-en-1-yl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 71941652
(2S,3aR,7aS)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125143922
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
1-(1,1-dioxothiolan-3-yl)-1-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 166434881
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 95284187
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
N',3-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide
CID 119130050
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
(1S,3S,4S)-3-amino-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154815849
(3R)-3-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 94064692

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977205) is 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is UCQCGTDHKBUQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(12-6-7-13(12)16(20)21)17-9-11-8-14(18-22-11)10-4-2-1-3-5-10/h1-5,8,12-13H,6-7,9H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).