4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide

C10H15N3O3 — CID 106417047

IUPAC4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1ccno1
InChIInChI=1S/C10H15N3O3/c1-11-9-6-15-5-8(9)10(14)12-4-7-2-3-13-16-7/h2-3,8-9,11H,4-6H2,1H3,(H,12,14)
InChIKeyVAQZIUXIKARRGS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.47
Rot. Bonds4

About 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide

4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide (PubChem CID 106417047) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
PubChem CID106417047
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCc1ccno1
InChIInChI=1S/C10H15N3O3/c1-11-9-6-15-5-8(9)10(14)12-4-7-2-3-13-16-7/h2-3,8-9,11H,4-6H2,1H3,(H,12,14)
InChIKeyVAQZIUXIKARRGS-UHFFFAOYSA-N
XLogP-0.47
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66266257
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 79237456
N-[(2-bromo-5-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267402
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 106371630
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106414836
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
N-(1,3-benzothiazol-2-ylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266629
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide (CID 106417047) is 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide is CNC1COCC1C(=O)NCc1ccno1.
What is the InChIKey of 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide?
The InChIKey is VAQZIUXIKARRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-11-9-6-15-5-8(9)10(14)12-4-7-2-3-13-16-7/h2-3,8-9,11H,4-6H2,1H3,(H,12,14).
What are the key properties of 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide?
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 106417047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).