N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide

C12H19N3O3 — CID 106371630

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H19N3O3/c1-7-8(2)18-11(15-7)4-14-12(16)9-5-17-6-10(9)13-3/h9-10,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyBBQBXQBPSPDJJW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.14
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 106371630) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID106371630
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H19N3O3/c1-7-8(2)18-11(15-7)4-14-12(16)9-5-17-6-10(9)13-3/h9-10,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyBBQBXQBPSPDJJW-UHFFFAOYSA-N
XLogP0.14
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 106371647
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 79237456
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236647
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 113264029
N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266629
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416
cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266257
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 103832982
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-morpholin-3-ylacetamide
CID 106371651

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 106371630) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is BBQBXQBPSPDJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-8(2)18-11(15-7)4-14-12(16)9-5-17-6-10(9)13-3/h9-10,13H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106371630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).