2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide

C17H29N5O3 — CID 72899792

IUPAC2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1NC(=O)CN(C)C(N)=O
InChIInChI=1S/C17H29N5O3/c1-5-6-13-7-22(8-14-11(2)20-25-12(14)3)9-15(13)19-16(23)10-21(4)17(18)24/h13,15H,5-10H2,1-4H3,(H2,18,24)(H,19,23)/t13-,15-/m0/s1
InChIKeyLUSVYDMJQFZMMW-ZFWWWQNUSA-N
MW351.45 g/mol
LogP1.02
Rot. Bonds7

About 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide

2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72899792) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72899792
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1NC(=O)CN(C)C(N)=O
InChIInChI=1S/C17H29N5O3/c1-5-6-13-7-22(8-14-11(2)20-25-12(14)3)9-15(13)19-16(23)10-21(4)17(18)24/h13,15H,5-10H2,1-4H3,(H2,18,24)(H,19,23)/t13-,15-/m0/s1
InChIKeyLUSVYDMJQFZMMW-ZFWWWQNUSA-N
XLogP1.02
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 24686840
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 24982677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25163169
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
3-((3,5-Dimethylisoxazol-4-yl)methyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2363815
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3234297

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide (CID 72899792) is 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(Cc2c(C)noc2C)C[C@@H]1NC(=O)CN(C)C(N)=O.
What is the InChIKey of 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is LUSVYDMJQFZMMW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-5-6-13-7-22(8-14-11(2)20-25-12(14)3)9-15(13)19-16(23)10-21(4)17(18)24/h13,15H,5-10H2,1-4H3,(H2,18,24)(H,19,23)/t13-,15-/m0/s1.
What are the key properties of 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(methyl)amino]-N-[(3R,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72899792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).