[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride

C15H17ClF2N2O3 — CID 175913687

IUPAC[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1
InChIInChI=1S/C15H16F2N2O3.ClH/c16-15(17)22-12-4-3-10(14-19-11(6-18)8-21-14)5-13(12)20-7-9-1-2-9;/h3-5,8-9,15H,1-2,6-7,18H2;1H
InChIKeyCDKDZBCWRHCFKL-UHFFFAOYSA-N
MW346.76 g/mol
LogP3.61
Rot. Bonds7

About [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride

[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride (PubChem CID 175913687) has the molecular formula C15H17ClF2N2O3 and a molecular weight of 346.76 g/mol. Its IUPAC name is [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
PubChem CID175913687
Molecular FormulaC15H17ClF2N2O3
Molecular Weight346.76 g/mol
Exact Mass346.09
IUPAC Name[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1
InChIInChI=1S/C15H16F2N2O3.ClH/c16-15(17)22-12-4-3-10(14-19-11(6-18)8-21-14)5-13(12)20-7-9-1-2-9;/h3-5,8-9,15H,1-2,6-7,18H2;1H
InChIKeyCDKDZBCWRHCFKL-UHFFFAOYSA-N
XLogP3.61
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl 5-carbamoylpyridine-2-carboxylate
CID 175553188
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912
2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole
CID 141172015
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone
CID 141428306
5-(aminomethyl)-N-benzyl-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 144949461
4-[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]piperazine-2,6-dione
CID 145026638
5-[(1S)-1-aminoethyl]-N-(cyclopropylmethoxy)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 141463914
5-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide;ethane
CID 144949421
4-(chloromethyl)-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazole
CID 68981989
[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfanylpiperazin-1-yl)methanone
CID 145026508
[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-[4-[(dimethylamino)methyl]piperazin-1-yl]methanone
CID 145026483
1-[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]piperazine-2-carboxylic acid
CID 145026601

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride (CID 175913687) is [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride is Cl.NCc1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1.
What is the InChIKey of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride?
The InChIKey is CDKDZBCWRHCFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3.ClH/c16-15(17)22-12-4-3-10(14-19-11(6-18)8-21-14)5-13(12)20-7-9-1-2-9;/h3-5,8-9,15H,1-2,6-7,18H2;1H.
What are the key properties of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride?
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride has a molecular weight of 346.76 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 175913687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).