1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea

C14H17N3O3 — CID 135544737

IUPAC1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea
SMILESCc1ccc(NC(=O)N=C2NC(=O)C(C(C)C)O2)cc1
InChIInChI=1S/C14H17N3O3/c1-8(2)11-12(18)16-14(20-11)17-13(19)15-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H2,15,16,17,18,19)
InChIKeyYVOITCYVMQLSCO-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea

1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea (PubChem CID 135544737) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea
PubChem CID135544737
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea
SMILESCc1ccc(NC(=O)N=C2NC(=O)C(C(C)C)O2)cc1
InChIInChI=1S/C14H17N3O3/c1-8(2)11-12(18)16-14(20-11)17-13(19)15-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H2,15,16,17,18,19)
InChIKeyYVOITCYVMQLSCO-UHFFFAOYSA-N
XLogP2.05
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-[(5R)-4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene]urea
CID 135886556
trimethyl-[(4-methylphenyl)carbamoylamino]azanium
CID 134109961
N-(4-methylphenyl)acetamide
CID 7684
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
(3E)-1-(4-methylphenyl)-3-(2-oxo-3-propan-2-yl-4aH-quinazolin-4-ylidene)urea
CID 52971553
2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
6-(2-aminopropanoyl)-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82339518
(3Z)-1-(4-chlorophenyl)-3-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 135795638
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
2-methylidene-5-propan-2-yl-1,3-oxazolidin-4-one
CID 58130152
2-[(5R)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135927418

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea (CID 135544737) is 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea is Cc1ccc(NC(=O)N=C2NC(=O)C(C(C)C)O2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea?
The InChIKey is YVOITCYVMQLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)11-12(18)16-14(20-11)17-13(19)15-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea?
1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea has a molecular weight of 275.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(4-oxo-5-propan-2-yl-1,3-oxazolidin-2-ylidene)urea is sourced from PubChem (CID 135544737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).