1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

C12H19N3O3 — CID 94124276

IUPAC1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCc1cc(CN(C)C(=O)NC[C@H]2CCOC2)no1
InChIInChI=1S/C12H19N3O3/c1-9-5-11(14-18-9)7-15(2)12(16)13-6-10-3-4-17-8-10/h5,10H,3-4,6-8H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyAOOAVGQDYVZWFD-SNVBAGLBSA-N
MW253.30 g/mol
LogP1.16
Rot. Bonds4

About 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94124276) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94124276
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCc1cc(CN(C)C(=O)NC[C@H]2CCOC2)no1
InChIInChI=1S/C12H19N3O3/c1-9-5-11(14-18-9)7-15(2)12(16)13-6-10-3-4-17-8-10/h5,10H,3-4,6-8H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyAOOAVGQDYVZWFD-SNVBAGLBSA-N
XLogP1.16
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]-1-methyl-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 94198918
3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47442443
methyl 4-[[methyl-[[(3S)-oxolan-3-yl]methylcarbamoyl]amino]methyl]benzoate
CID 94124279
3-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylmethyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 102553470
1-methyl-3-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94030397
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 139009735
1-methyl-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 94030432
3-(1,1-dioxothiolan-3-yl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47237198
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
2-(cyclopropylmethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86991307
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3R)-oxolan-3-yl]methylamino]butanamide
CID 94181888
2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98857976

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 94124276) is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is Cc1cc(CN(C)C(=O)NC[C@H]2CCOC2)no1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is AOOAVGQDYVZWFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-5-11(14-18-9)7-15(2)12(16)13-6-10-3-4-17-8-10/h5,10H,3-4,6-8H2,1-2H3,(H,13,16)/t10-/m1/s1.
What are the key properties of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 253.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94124276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).