[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

C18H25N5O2 — CID 167758324

IUPAC[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCN(CC1CCCN1C(=O)c1ccon1)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)17-19-9-7-15(20-17)22(4)12-13-6-5-10-23(13)16(24)14-8-11-25-21-14/h7-9,11,13H,5-6,10,12H2,1-4H3
InChIKeyHAKCGGDEBLKZAU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.50
Rot. Bonds4

About [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 167758324) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID167758324
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCN(CC1CCCN1C(=O)c1ccon1)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)17-19-9-7-15(20-17)22(4)12-13-6-5-10-23(13)16(24)14-8-11-25-21-14/h7-9,11,13H,5-6,10,12H2,1-4H3
InChIKeyHAKCGGDEBLKZAU-UHFFFAOYSA-N
XLogP2.50
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 80666279
tert-butyl 2-[[methyl(pyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647694
2-tert-butyl-N-(2-cyclopropylethyl)-N-methylpyrimidin-4-amine
CID 133398459
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)-2-pyridinyl]methanone
CID 62889943
[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63723390
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124566567
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
2-N-ethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80848596
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764

Frequently Asked Questions

What is the IUPAC name of [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 167758324) is [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is CN(CC1CCCN1C(=O)c1ccon1)c1ccnc(C(C)(C)C)n1.
What is the InChIKey of [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is HAKCGGDEBLKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)17-19-9-7-15(20-17)22(4)12-13-6-5-10-23(13)16(24)14-8-11-25-21-14/h7-9,11,13H,5-6,10,12H2,1-4H3.
What are the key properties of [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 167758324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).