N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide

C17H25N5O3 — CID 146119028

IUPACN-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1Cc1c(C)noc1C
InChIInChI=1S/C17H25N5O3/c1-11-17(12(2)25-20-11)9-21-8-15(5-16(21)10-24-4)22-7-14(6-18-22)19-13(3)23/h6-7,15-16H,5,8-10H2,1-4H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyCKYJBCXTHBACOW-HOTGVXAUSA-N
MW347.42 g/mol
LogP1.91
Rot. Bonds6

About N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide

N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide (PubChem CID 146119028) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
PubChem CID146119028
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
SMILESCOC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1Cc1c(C)noc1C
InChIInChI=1S/C17H25N5O3/c1-11-17(12(2)25-20-11)9-21-8-15(5-16(21)10-24-4)22-7-14(6-18-22)19-13(3)23/h6-7,15-16H,5,8-10H2,1-4H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyCKYJBCXTHBACOW-HOTGVXAUSA-N
XLogP1.91
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3S,5S)-5-(methoxymethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146119025
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146118992
N-[1-[(3S,5S)-5-(methoxymethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
CID 146119052
3-fluoro-N-[1-[(3S,5S)-1-[(3-fluorophenyl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]benzamide
CID 146119095
3-fluoro-N-[1-[(3S,5S)-1-[(2-fluorophenyl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]benzamide
CID 146119096
N-[1-[(3S,5S)-1-(cyclopentylmethyl)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
CID 146119130
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]cyclohexanecarboxamide
CID 57422291
(2S,4S)-4-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]-N-(4-fluorophenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 146118972
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
N-[1-[(3S,5S)-5-(methoxymethyl)-1-propan-2-ylpyrrolidin-3-yl]pyrazol-4-yl]methanesulfonamide
CID 146119017
N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
CID 142434812
(2S,4S)-4-(4-acetamidopyrazol-1-yl)-N-tert-butyl-2-[[2-(dimethylamino)-2-oxoethoxy]methyl]pyrrolidine-1-carboxamide
CID 146119238

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide (CID 146119028) is N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide is COC[C@@H]1C[C@H](n2cc(NC(C)=O)cn2)CN1Cc1c(C)noc1C.
What is the InChIKey of N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is CKYJBCXTHBACOW-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-17(12(2)25-20-11)9-21-8-15(5-16(21)10-24-4)22-7-14(6-18-22)19-13(3)23/h6-7,15-16H,5,8-10H2,1-4H3,(H,19,23)/t15-,16-/m0/s1.
What are the key properties of N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide?
N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S,5S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(methoxymethyl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 146119028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).