ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate

C19H29N3O4 — CID 124847548

IUPACethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1
InChIInChI=1S/C19H29N3O4/c1-4-25-19(24)22-9-7-15(8-10-22)12(2)21-18(23)17-13(3)20-16(26-17)11-14-5-6-14/h12,14-15H,4-11H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyKZRVVJXKDFJGOK-LBPRGKRZSA-N
MW363.46 g/mol
LogP2.92
Rot. Bonds6

About ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate

ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate (PubChem CID 124847548) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate
PubChem CID124847548
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1
InChIInChI=1S/C19H29N3O4/c1-4-25-19(24)22-9-7-15(8-10-22)12(2)21-18(23)17-13(3)20-16(26-17)11-14-5-6-14/h12,14-15H,4-11H2,1-3H3,(H,21,23)/t12-/m0/s1
InChIKeyKZRVVJXKDFJGOK-LBPRGKRZSA-N
XLogP2.92
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[(2-Ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 45230778
(4S)-4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}-N-ethyl-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 74230533
5-({1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201698
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
Ethyl 4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}piperidine-1-carboxylate
CID 77094000
methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
CID 95934024
2,4-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-oxazole-5-carboxamide
CID 119039124
2-(cyclopropylmethyl)-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 124850902
(4-Cyclobutyloxypiperidin-1-yl)-(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 128767551
2,4-dimethyl-N-[(1-pent-2-yn-1-ylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide formate
CID 131904082
2,4-dimethyl-N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 164630940
[(1R)-1-[[(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-4-morpholin-4-yl-4-oxobutanoyl]amino]-3-methylbutyl]boronic acid
CID 168919731

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate (CID 124847548) is ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate is CCOC(=O)N1CCC([C@H](C)NC(=O)c2oc(CC3CC3)nc2C)CC1.
What is the InChIKey of ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate?
The InChIKey is KZRVVJXKDFJGOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-4-25-19(24)22-9-7-15(8-10-22)12(2)21-18(23)17-13(3)20-16(26-17)11-14-5-6-14/h12,14-15H,4-11H2,1-3H3,(H,21,23)/t12-/m0/s1.
What are the key properties of ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate?
ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1S)-1-[[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 124847548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).