methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate

C16H16N2O4 — CID 154795470

IUPACmethyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)no1
InChIInChI=1S/C16H16N2O4/c1-21-16(20)14-9-13(18-22-14)15(19)17-12-8-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyHKISKDIFZZZGGA-VXGBXAGGSA-N
MW300.31 g/mol
LogP2.14
Rot. Bonds4

About methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate

methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate (PubChem CID 154795470) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate
PubChem CID154795470
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate
SMILESCOC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)no1
InChIInChI=1S/C16H16N2O4/c1-21-16(20)14-9-13(18-22-14)15(19)17-12-8-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyHKISKDIFZZZGGA-VXGBXAGGSA-N
XLogP2.14
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739374
5-cyclopropyl-N-[(1R,2R)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739375
3,6-dimethyl-N-[(1R,2R)-2-phenylcyclobutyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97218365
5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386265
3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369563
N-[(1S,2R)-2-phenylcyclobutyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 97081710
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
2-(5-methyl-1,2-oxazol-3-yl)-N-[(1R,2S)-2-phenylcyclohexyl]acetamide
CID 95964657
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
5-(methoxymethyl)-N-(2-phenoxycyclohexyl)-1,2-oxazole-3-carboxamide
CID 75374447
5-methyl-N-[(1R,2R)-2-phenylcyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 97073098
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate (CID 154795470) is methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate is COC(=O)c1cc(C(=O)N[C@@H]2CC[C@@H]2c2ccccc2)no1.
What is the InChIKey of methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate?
The InChIKey is HKISKDIFZZZGGA-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-16(20)14-9-13(18-22-14)15(19)17-12-8-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate?
methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R,2R)-2-phenylcyclobutyl]carbamoyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 154795470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).