1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea

C15H21N3O3 — CID 51084586

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NC(C)Cc1ccco1
InChIInChI=1S/C15H21N3O3/c1-10(8-13-6-5-7-20-13)16-15(19)18(4)9-14-11(2)17-21-12(14)3/h5-7,10H,8-9H2,1-4H3,(H,16,19)
InChIKeyYTFOMMBCGXYEBP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.66
Rot. Bonds5

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea (PubChem CID 51084586) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea
PubChem CID51084586
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NC(C)Cc1ccco1
InChIInChI=1S/C15H21N3O3/c1-10(8-13-6-5-7-20-13)16-15(19)18(4)9-14-11(2)17-21-12(14)3/h5-7,10H,8-9H2,1-4H3,(H,16,19)
InChIKeyYTFOMMBCGXYEBP-UHFFFAOYSA-N
XLogP2.66
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea with MolForge

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Related Compounds

4-[(3,5-Dimethyl-isoxazol-4-yl)-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-N-ethyl-benzamide
CID 44395445
(1R,5S)-methyl 3-(3,5-dimethylisoxazol-4-yl)-8-(furan-2-ylmethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068215
3-[1-(Furan-2-yl)propan-2-yl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 45831874
1-Cyclopropyl-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75378358
1-Cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425417
3-[(3,5-Dimethyl-1,2-oxazol-4-YL)methyl]-3-methyl-1-(2-phenoxycyclopentyl)urea
CID 72016630
N-[(Furan-2-YL)methyl]-2-(3-methyl-1,2-oxazol-5-YL)pyrrolidine-1-carboxamide
CID 47230401
N-(4-ethoxyphenyl)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 50808863
CID 50808865
CID 50808865
CID 50808963
CID 50808963
2-(3,5-dimethyl-4-isoxazolyl)-N-(4-ethoxyphenyl)-1-pyrrolidinecarboxamide
CID 50808986
1-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 50809079

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea (CID 51084586) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)NC(C)Cc1ccco1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea?
The InChIKey is YTFOMMBCGXYEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(8-13-6-5-7-20-13)16-15(19)18(4)9-14-11(2)17-21-12(14)3/h5-7,10H,8-9H2,1-4H3,(H,16,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea has a molecular weight of 291.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-(furan-2-yl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 51084586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).