N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline

C20H21F3N4O — CID 166212216

IUPACN-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline
SMILESCc1c(-c2cc(CN(CC3CC3)c3cccc(C(F)(F)F)c3)on2)cnn1C
InChIInChI=1S/C20H21F3N4O/c1-13-18(10-24-26(13)2)19-9-17(28-25-19)12-27(11-14-6-7-14)16-5-3-4-15(8-16)20(21,22)23/h3-5,8-10,14H,6-7,11-12H2,1-2H3
InChIKeySIWWAUAEHHDPTG-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.82
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline

N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline (PubChem CID 166212216) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline
PubChem CID166212216
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline
SMILESCc1c(-c2cc(CN(CC3CC3)c3cccc(C(F)(F)F)c3)on2)cnn1C
InChIInChI=1S/C20H21F3N4O/c1-13-18(10-24-26(13)2)19-9-17(28-25-19)12-27(11-14-6-7-14)16-5-3-4-15(8-16)20(21,22)23/h3-5,8-10,14H,6-7,11-12H2,1-2H3
InChIKeySIWWAUAEHHDPTG-UHFFFAOYSA-N
XLogP4.82
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline (CID 166212216) is N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline is Cc1c(-c2cc(CN(CC3CC3)c3cccc(C(F)(F)F)c3)on2)cnn1C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is SIWWAUAEHHDPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-13-18(10-24-26(13)2)19-9-17(28-25-19)12-27(11-14-6-7-14)16-5-3-4-15(8-16)20(21,22)23/h3-5,8-10,14H,6-7,11-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline?
N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 390.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 166212216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).