2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C13H21N3O3 — CID 110019829

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCC(C(C)O)C2)on1
InChIInChI=1S/C13H21N3O3/c1-8-6-12(19-15-8)14-13(18)9(2)16-5-4-11(7-16)10(3)17/h6,9-11,17H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyBMMDPGHSQKAVLM-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.01
Rot. Bonds4

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 110019829) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID110019829
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCC(C(C)O)C2)on1
InChIInChI=1S/C13H21N3O3/c1-8-6-12(19-15-8)14-13(18)9(2)16-5-4-11(7-16)10(3)17/h6,9-11,17H,4-5,7H2,1-3H3,(H,14,18)
InChIKeyBMMDPGHSQKAVLM-UHFFFAOYSA-N
XLogP1.01
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110020032
N-(5-chloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019983
(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100837496
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 95311636
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
2-[4-(2-ethoxyphenoxy)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 47532746
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 110019793
(2R)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 100842044
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
N-(3-methyl-1,2-oxazol-5-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propanamide
CID 56802761

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 110019829) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)N2CCC(C(C)O)C2)on1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is BMMDPGHSQKAVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-6-12(19-15-8)14-13(18)9(2)16-5-4-11(7-16)10(3)17/h6,9-11,17H,4-5,7H2,1-3H3,(H,14,18).
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 110019829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).