2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide

C17H25N5O3 — CID 93069314

IUPAC2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
SMILESCc1noc2nc(C)n(CC(=O)NCC[C@H](C)N3CCCC3)c(=O)c12
InChIInChI=1S/C17H25N5O3/c1-11(21-8-4-5-9-21)6-7-18-14(23)10-22-13(3)19-16-15(17(22)24)12(2)20-25-16/h11H,4-10H2,1-3H3,(H,18,23)/t11-/m0/s1
InChIKeyQRYPYLRBRGNQLC-NSHDSACASA-N
MW347.42 g/mol
LogP0.99
Rot. Bonds6

About 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide (PubChem CID 93069314) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
PubChem CID93069314
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
SMILESCc1noc2nc(C)n(CC(=O)NCC[C@H](C)N3CCCC3)c(=O)c12
InChIInChI=1S/C17H25N5O3/c1-11(21-8-4-5-9-21)6-7-18-14(23)10-22-13(3)19-16-15(17(22)24)12(2)20-25-16/h11H,4-10H2,1-3H3,(H,18,23)/t11-/m0/s1
InChIKeyQRYPYLRBRGNQLC-NSHDSACASA-N
XLogP0.99
TPSA93.26 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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxypropyl)acetamide
CID 46350102
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53008115
N-[(4-chlorophenyl)methyl]-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086738
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074222
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 53086688
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-ethyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53008144
N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086714
N-[3-(azepan-1-yl)butyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 53090788
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92876374
ethyl 6-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 95064991
ethyl 6-methyl-5-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352897
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53086846

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide (CID 93069314) is 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide is Cc1noc2nc(C)n(CC(=O)NCC[C@H](C)N3CCCC3)c(=O)c12.
What is the InChIKey of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide?
The InChIKey is QRYPYLRBRGNQLC-NSHDSACASA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(21-8-4-5-9-21)6-7-18-14(23)10-22-13(3)19-16-15(17(22)24)12(2)20-25-16/h11H,4-10H2,1-3H3,(H,18,23)/t11-/m0/s1.
What are the key properties of 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide?
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide is sourced from PubChem (CID 93069314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).