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

C13H21N3O3 — CID 97314358

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
SMILESCc1noc(C)c1CNC(=O)NC[C@@H]1CCCOC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-16-9)7-15-13(17)14-6-11-4-3-5-18-8-11/h11H,3-8H2,1-2H3,(H2,14,15,17)/t11-/m0/s1
InChIKeyJDJVIWCUNBIGFX-NSHDSACASA-N
MW267.33 g/mol
LogP1.52
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea (PubChem CID 97314358) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
PubChem CID97314358
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
SMILESCc1noc(C)c1CNC(=O)NC[C@@H]1CCCOC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-16-9)7-15-13(17)14-6-11-4-3-5-18-8-11/h11H,3-8H2,1-2H3,(H2,14,15,17)/t11-/m0/s1
InChIKeyJDJVIWCUNBIGFX-NSHDSACASA-N
XLogP1.52
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 119150985
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 97314273
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
3,5-dimethyl-N-[[(3S)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192826
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxolan-3-yl)acetamide
CID 119071118
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea (CID 97314358) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea is Cc1noc(C)c1CNC(=O)NC[C@@H]1CCCOC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea?
The InChIKey is JDJVIWCUNBIGFX-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-12(10(2)19-16-9)7-15-13(17)14-6-11-4-3-5-18-8-11/h11H,3-8H2,1-2H3,(H2,14,15,17)/t11-/m0/s1.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[[(3S)-oxan-3-yl]methyl]urea has a molecular weight of 267.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 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-[[(3S)-oxan-3-yl]methyl]urea is sourced from PubChem (CID 97314358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).