N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide

C19H26N4O4 — CID 12807520

IUPACN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)NCC(O)COc1ccc(NC(=O)C2CC2)cc1-c1nnco1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)20-9-14(24)10-26-16-7-6-13(22-17(25)12-4-5-12)8-15(16)18-23-21-11-27-18/h6-8,11-12,14,20,24H,4-5,9-10H2,1-3H3,(H,22,25)
InChIKeyLSESPLHEDNYDQU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.21
Rot. Bonds8

About N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide

N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 12807520) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID12807520
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)NCC(O)COc1ccc(NC(=O)C2CC2)cc1-c1nnco1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)20-9-14(24)10-26-16-7-6-13(22-17(25)12-4-5-12)8-15(16)18-23-21-11-27-18/h6-8,11-12,14,20,24H,4-5,9-10H2,1-3H3,(H,22,25)
InChIKeyLSESPLHEDNYDQU-UHFFFAOYSA-N
XLogP2.21
TPSA109.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 12799317
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]-2-methylpropanamide
CID 12807519
N-[3-fluoro-4-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 166279971
(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243462
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]butanamide
CID 21405179
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
1-[3-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-cyclohexylurea
CID 3032075
ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-[(2-chlorobenzoyl)amino]benzoate
CID 13473046
3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorobenzoic acid;hydrochloride
CID 139024800

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide (CID 12807520) is N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide is CC(C)(C)NCC(O)COc1ccc(NC(=O)C2CC2)cc1-c1nnco1.
What is the InChIKey of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is LSESPLHEDNYDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-19(2,3)20-9-14(24)10-26-16-7-6-13(22-17(25)12-4-5-12)8-15(16)18-23-21-11-27-18/h6-8,11-12,14,20,24H,4-5,9-10H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide?
N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 12807520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).