3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea

C15H25N3O2S — CID 97223648

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
SMILESCCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1
InChIInChI=1S/C15H25N3O2S/c1-5-21-13-7-6-12(8-13)18(4)15(19)16-9-14-17-10(2)11(3)20-14/h12-13H,5-9H2,1-4H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyRVZNKDCMPCBSKQ-QWHCGFSZSA-N
MW311.45 g/mol
LogP3.11
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea (PubChem CID 97223648) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
PubChem CID97223648
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
SMILESCCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1
InChIInChI=1S/C15H25N3O2S/c1-5-21-13-7-6-12(8-13)18(4)15(19)16-9-14-17-10(2)11(3)20-14/h12-13H,5-9H2,1-4H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyRVZNKDCMPCBSKQ-QWHCGFSZSA-N
XLogP3.11
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea with MolForge

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Related Compounds

1-[(1R,3R)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 97223816
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97059182
3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920743
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
3-(2-cyclopropylpyrimidin-5-yl)-1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97224053
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
3-(2,6-difluorophenyl)-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 75379365
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
1-[2-[cyclopropyl(methyl)amino]propyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109428423
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 113264029
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106374987

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea (CID 97223648) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea is CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea?
The InChIKey is RVZNKDCMPCBSKQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-21-13-7-6-12(8-13)18(4)15(19)16-9-14-17-10(2)11(3)20-14/h12-13H,5-9H2,1-4H3,(H,16,19)/t12-,13+/m0/s1.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea has a molecular weight of 311.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea is sourced from PubChem (CID 97223648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).