4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H15N3O — CID 67271503

IUPAC4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccccc1NCC1COC(N)=N1
InChIInChI=1S/C11H15N3O/c1-8-4-2-3-5-10(8)13-6-9-7-15-11(12)14-9/h2-5,9,13H,6-7H2,1H3,(H2,12,14)
InChIKeyUFWJISBRXRZDDQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.12
Rot. Bonds3

About 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67271503) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67271503
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1ccccc1NCC1COC(N)=N1
InChIInChI=1S/C11H15N3O/c1-8-4-2-3-5-10(8)13-6-9-7-15-11(12)14-9/h2-5,9,13H,6-7H2,1H3,(H2,12,14)
InChIKeyUFWJISBRXRZDDQ-UHFFFAOYSA-N
XLogP1.12
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323786
(4S)-4-[[(2,6-dimethylphenyl)methylamino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67270953
4-[(2,4-difluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67270715
(4S)-4-[(2R)-2-phenylpropyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323844
5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
CID 67968193
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
[2-[(2-methylanilino)methyl]cyclopropyl]methanol
CID 102547886
3-(2-methylanilino)propan-1-ol
CID 18005925
4-[(2-fluorophenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 68713067
(4S)-4-[[(3,5-dichlorophenyl)methylamino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271371
N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845
CID 175798397
CID 175798397

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67271503) is 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1ccccc1NCC1COC(N)=N1.
What is the InChIKey of 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is UFWJISBRXRZDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-2-3-5-10(8)13-6-9-7-15-11(12)14-9/h2-5,9,13H,6-7H2,1H3,(H2,12,14).
What are the key properties of 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 205.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67271503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).