3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide

C17H24N4O3 — CID 100752845

IUPAC3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)o1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)13-10-18-16(24-13)7-6-15(22)19-14-9-11(20-21-14)12-5-4-8-23-12/h9-10,12H,4-8H2,1-3H3,(H2,19,20,21,22)/t12-/m0/s1
InChIKeyUBBOQIPAOFSVBZ-LBPRGKRZSA-N
MW332.40 g/mol
LogP3.12
Rot. Bonds5

About 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide

3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide (PubChem CID 100752845) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
PubChem CID100752845
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
SMILESCC(C)(C)c1cnc(CCC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)o1
InChIInChI=1S/C17H24N4O3/c1-17(2,3)13-10-18-16(24-13)7-6-15(22)19-14-9-11(20-21-14)12-5-4-8-23-12/h9-10,12H,4-8H2,1-3H3,(H2,19,20,21,22)/t12-/m0/s1
InChIKeyUBBOQIPAOFSVBZ-LBPRGKRZSA-N
XLogP3.12
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-difluoroethoxy)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide
CID 124843258
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(oxolan-2-yl)propanamide
CID 47067695
1-methyl-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrazole-3-carboxamide
CID 170287229
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170160025
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(5-tert-butyl-1,3-oxazol-2-yl)propanamide
CID 100627632
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 55867560
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111593792
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 99839399
4-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119185478
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
The IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide (CID 100752845) is 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide is CC(C)(C)c1cnc(CCC(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)o1.
What is the InChIKey of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
The InChIKey is UBBOQIPAOFSVBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,3)13-10-18-16(24-13)7-6-15(22)19-14-9-11(20-21-14)12-5-4-8-23-12/h9-10,12H,4-8H2,1-3H3,(H2,19,20,21,22)/t12-/m0/s1.
What are the key properties of 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide?
3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide has a molecular weight of 332.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-oxazol-2-yl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]propanamide is sourced from PubChem (CID 100752845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).