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

C12H19N3O3 — CID 79237456

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C12H19N3O3/c1-7-9(8(2)18-15-7)4-14-12(16)10-5-17-6-11(10)13-3/h10-11,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyKRZZKZXRCWUEHY-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.14
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 79237456) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID79237456
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1c(C)noc1C
InChIInChI=1S/C12H19N3O3/c1-7-9(8(2)18-15-7)4-14-12(16)10-5-17-6-11(10)13-3/h10-11,13H,4-6H2,1-3H3,(H,14,16)
InChIKeyKRZZKZXRCWUEHY-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-(methylamino)oxolane-3-carboxamide
CID 106371630
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236647
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
CID 106417047
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97314365
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266629
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 66267139
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 47864758
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
trans-(1R,2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131417

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 79237456) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is KRZZKZXRCWUEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-9(8(2)18-15-7)4-14-12(16)10-5-17-6-11(10)13-3/h10-11,13H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 79237456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).