N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide

C16H23N5O4 — CID 166380259

IUPACN-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C2CC2)oc1C(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1
InChIInChI=1S/C16H23N5O4/c1-8-12(25-14(18-8)10-3-4-10)13(22)20-11-5-6-21(7-11)15(23)9(2)19-16(17)24/h9-11H,3-7H2,1-2H3,(H,20,22)(H3,17,19,24)/t9-,11-/m0/s1
InChIKeyHJXXJZCOXMTHKR-ONGXEEELSA-N
MW349.39 g/mol
LogP0.25
Rot. Bonds5

About N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide

N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 166380259) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID166380259
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC NameN-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C2CC2)oc1C(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1
InChIInChI=1S/C16H23N5O4/c1-8-12(25-14(18-8)10-3-4-10)13(22)20-11-5-6-21(7-11)15(23)9(2)19-16(17)24/h9-11H,3-7H2,1-2H3,(H,20,22)(H3,17,19,24)/t9-,11-/m0/s1
InChIKeyHJXXJZCOXMTHKR-ONGXEEELSA-N
XLogP0.25
TPSA130.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166380260
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120522817
N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
CID 166380246
methyl 2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxylate
CID 130703206
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537730
2-cyclopropyl-N-[(1S)-1-[1-(hydroxymethyl)cyclopentyl]-2-methylpropyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 164633710
[1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 79410835
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 138011377
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
7-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]heptanoic acid
CID 120524103
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide (CID 166380259) is N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide is Cc1nc(C2CC2)oc1C(=O)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1.
What is the InChIKey of N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is HJXXJZCOXMTHKR-ONGXEEELSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-8-12(25-14(18-8)10-3-4-10)13(22)20-11-5-6-21(7-11)15(23)9(2)19-16(17)24/h9-11H,3-7H2,1-2H3,(H,20,22)(H3,17,19,24)/t9-,11-/m0/s1.
What are the key properties of N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166380259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).