N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C23H28N4O3S — CID 163277173

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(OCCN3CCCC3)c(-c3c(C)noc3C)c2)s1
InChIInChI=1S/C23H28N4O3S/c1-14-21(16(3)30-26-14)19-13-18(25-23(28)22-15(2)24-17(4)31-22)7-8-20(19)29-12-11-27-9-5-6-10-27/h7-8,13H,5-6,9-12H2,1-4H3,(H,25,28)
InChIKeyUSUBGHVBAZHGDO-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.76
Rot. Bonds7

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 163277173) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID163277173
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(OCCN3CCCC3)c(-c3c(C)noc3C)c2)s1
InChIInChI=1S/C23H28N4O3S/c1-14-21(16(3)30-26-14)19-13-18(25-23(28)22-15(2)24-17(4)31-22)7-8-20(19)29-12-11-27-9-5-6-10-27/h7-8,13H,5-6,9-12H2,1-4H3,(H,25,28)
InChIKeyUSUBGHVBAZHGDO-UHFFFAOYSA-N
XLogP4.76
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
cis-(1S,2S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163277092
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277133
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 176870037
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(4,6-dimethylpyrimidin-5-yl)phenyl]-4-methylbenzamide
CID 163277063
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 163276830
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-fluoropyridine-3-carboxamide
CID 163276752
cis-(1S,2S)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163276956
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 176870016
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 163277173) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(OCCN3CCCC3)c(-c3c(C)noc3C)c2)s1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is USUBGHVBAZHGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-14-21(16(3)30-26-14)19-13-18(25-23(28)22-15(2)24-17(4)31-22)7-8-20(19)29-12-11-27-9-5-6-10-27/h7-8,13H,5-6,9-12H2,1-4H3,(H,25,28).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163277173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).