1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

C15H23N3O3 — CID 99616041

IUPAC1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)oc1C
InChIInChI=1S/C15H23N3O3/c1-9-10(2)21-14(17-9)8-16-15(19)18-12-5-6-20-13(7-12)11-3-4-11/h11-13H,3-8H2,1-2H3,(H2,16,18,19)/t12-,13-/m0/s1
InChIKeyRTLUKRXCJOIYMC-STQMWFEESA-N
MW293.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea

1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 99616041) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID99616041
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
SMILESCc1nc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)oc1C
InChIInChI=1S/C15H23N3O3/c1-9-10(2)21-14(17-9)8-16-15(19)18-12-5-6-20-13(7-12)11-3-4-11/h11-13H,3-8H2,1-2H3,(H2,16,18,19)/t12-,13-/m0/s1
InChIKeyRTLUKRXCJOIYMC-STQMWFEESA-N
XLogP2.05
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
CID 99578632
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(2R)-2-(4-methylphenoxy)propyl]urea
CID 129374206
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 99625310
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]urea
CID 124888151
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiourea
CID 106370563

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea (CID 99616041) is 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is Cc1nc(CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)oc1C.
What is the InChIKey of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is RTLUKRXCJOIYMC-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-10(2)21-14(17-9)8-16-15(19)18-12-5-6-20-13(7-12)11-3-4-11/h11-13H,3-8H2,1-2H3,(H2,16,18,19)/t12-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea?
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 293.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 99616041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).